CAS No.677338-12-4,N-(2,3-Dihydro-7,8-dimethoxyimidazo[1,2-c]quinazolin-5-yl)-3-pyridinecarboxamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	677338-12-4
Name:	N-(2,3-Dihydro-7,8-dimethoxyimidazo[1,2-c]quinazolin-5-yl)-3-pyridinecarboxamide
Article Data:	2

Formula:	C₁₈H₁₇N₅O₃
Molecular Weight:	351.365
Synonyms:	PIK 85;PIK90;
Density:	1.42 g/cm³

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Specification

The PIK 90, with the CAS registry number 677338-12-4, has the systematic name N-(7,8-dimethoxy-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)pyridine-3-carboxamide. Its molecular formula is C₁₈H₁₇N₅O₃and its molecular weight is 351.37.

Other characteristics of the PIK 90 can be summarised as followings: (1)ACD/LogP: -0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.72; (4)ACD/LogD (pH 7.4): -0.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.7; (8)ACD/KOC (pH 7.4): 14.41; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 79.62 Å²; (13)Index of Refraction: 1.695; (14)Molar Refractivity: 94.73 cm³; (15)Molar Volume: 246.3 cm³; (16)Polarizability: 37.55×10^-24cm³; (17)Surface Tension: 55.4 dyne/cm; (18)Density: 1.42 g/cm³.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1cccnc1)NC\3=N\c2c(OC)c(OC)ccc2C/4=N/CCN/3\4
2.InChI: InChI=1/C18H17N5O3/c1-25-13-6-5-12-14(15(13)26-2)21-18(23-9-8-20-16(12)23)22-17(24)11-4-3-7-19-10-11/h3-7,10H,8-9H2,1-2H3,(H,21,22,24)
3.InChIKey: ZJAVHOMVDCMAMF-UHFFFAOYAS