N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

C23H16ClN5O2 — CID 71229291

IUPACN-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1cnc2nc[nH]c2c1
InChIInChI=1S/C23H16ClN5O2/c24-16-6-7-18-20(9-16)29(17-4-2-1-3-5-17)12-15(21(18)30)11-26-23(31)14-8-19-22(25-10-14)28-13-27-19/h1-10,12-13H,11H2,(H,26,31)(H,25,27,28)
InChIKeyYJDRUICTTSFGDN-UHFFFAOYSA-N
MW429.87 g/mol
LogP3.85
Rot. Bonds4

About N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 71229291) has the molecular formula C23H16ClN5O2 and a molecular weight of 429.87 g/mol. Its IUPAC name is N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID71229291
Molecular FormulaC23H16ClN5O2
Molecular Weight429.87 g/mol
Exact Mass429.10
IUPAC NameN-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1cnc2nc[nH]c2c1
InChIInChI=1S/C23H16ClN5O2/c24-16-6-7-18-20(9-16)29(17-4-2-1-3-5-17)12-15(21(18)30)11-26-23(31)14-8-19-22(25-10-14)28-13-27-19/h1-10,12-13H,11H2,(H,26,31)(H,25,27,28)
InChIKeyYJDRUICTTSFGDN-UHFFFAOYSA-N
XLogP3.85
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.87
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (CID 71229291) is N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1cnc2nc[nH]c2c1.
What is the InChIKey of N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is YJDRUICTTSFGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN5O2/c24-16-6-7-18-20(9-16)29(17-4-2-1-3-5-17)12-15(21(18)30)11-26-23(31)14-8-19-22(25-10-14)28-13-27-19/h1-10,12-13H,11H2,(H,26,31)(H,25,27,28).
What are the key properties of N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 429.87 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 71229291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).