2-(4-chlorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-propylquinazoline-7-carboxamide

C25H21ClN6O — CID 122431364

IUPAC2-(4-chlorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-propylquinazoline-7-carboxamide
SMILESCCCc1nc(-c2ccc(Cl)cc2)nc2cc(C(=O)NCc3nc4ccncc4[nH]3)ccc12
InChIInChI=1S/C25H21ClN6O/c1-2-3-19-18-9-6-16(12-21(18)32-24(31-19)15-4-7-17(26)8-5-15)25(33)28-14-23-29-20-10-11-27-13-22(20)30-23/h4-13H,2-3,14H2,1H3,(H,28,33)(H,29,30)
InChIKeyMZBQYJAZGSIHBF-UHFFFAOYSA-N
MW456.94 g/mol
LogP5.10
Rot. Bonds6

About 2-(4-chlorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-propylquinazoline-7-carboxamide

2-(4-chlorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-propylquinazoline-7-carboxamide (PubChem CID 122431364) has the molecular formula C25H21ClN6O and a molecular weight of 456.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-propylquinazoline-7-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-propylquinazoline-7-carboxamide
PubChem CID122431364
Molecular FormulaC25H21ClN6O
Molecular Weight456.94 g/mol
Exact Mass456.15
IUPAC Name2-(4-chlorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-propylquinazoline-7-carboxamide
SMILESCCCc1nc(-c2ccc(Cl)cc2)nc2cc(C(=O)NCc3nc4ccncc4[nH]3)ccc12
InChIInChI=1S/C25H21ClN6O/c1-2-3-19-18-9-6-16(12-21(18)32-24(31-19)15-4-7-17(26)8-5-15)25(33)28-14-23-29-20-10-11-27-13-22(20)30-23/h4-13H,2-3,14H2,1H3,(H,28,33)(H,29,30)
InChIKeyMZBQYJAZGSIHBF-UHFFFAOYSA-N
XLogP5.10
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.94
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-propylquinazoline-7-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-propylquinazoline-7-carboxamide (CID 122431364) is 2-(4-chlorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-propylquinazoline-7-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-propylquinazoline-7-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-propylquinazoline-7-carboxamide is CCCc1nc(-c2ccc(Cl)cc2)nc2cc(C(=O)NCc3nc4ccncc4[nH]3)ccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-propylquinazoline-7-carboxamide?
The InChIKey is MZBQYJAZGSIHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN6O/c1-2-3-19-18-9-6-16(12-21(18)32-24(31-19)15-4-7-17(26)8-5-15)25(33)28-14-23-29-20-10-11-27-13-22(20)30-23/h4-13H,2-3,14H2,1H3,(H,28,33)(H,29,30).
What are the key properties of 2-(4-chlorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-propylquinazoline-7-carboxamide?
2-(4-chlorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-propylquinazoline-7-carboxamide has a molecular weight of 456.94 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-propylquinazoline-7-carboxamide is sourced from PubChem (CID 122431364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).