7-chloro-4-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide

C16H12ClN3O2 — CID 39042088

IUPAC7-chloro-4-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
SMILESO=C(NCc1ccncc1)c1c[nH]c2cc(Cl)ccc2c1=O
InChIInChI=1S/C16H12ClN3O2/c17-11-1-2-12-14(7-11)19-9-13(15(12)21)16(22)20-8-10-3-5-18-6-4-10/h1-7,9H,8H2,(H,19,21)(H,20,22)
InChIKeyXCVMGSBGYNNHLI-UHFFFAOYSA-N
MW313.74 g/mol
LogP2.51
Rot. Bonds3

About 7-chloro-4-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide

7-chloro-4-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide (PubChem CID 39042088) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is 7-chloro-4-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name7-chloro-4-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
PubChem CID39042088
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC Name7-chloro-4-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
SMILESO=C(NCc1ccncc1)c1c[nH]c2cc(Cl)ccc2c1=O
InChIInChI=1S/C16H12ClN3O2/c17-11-1-2-12-14(7-11)19-9-13(15(12)21)16(22)20-8-10-3-5-18-6-4-10/h1-7,9H,8H2,(H,19,21)(H,20,22)
InChIKeyXCVMGSBGYNNHLI-UHFFFAOYSA-N
XLogP2.51
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-N-[[4-(methylaminomethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 18473034
6-bromo-N-[(4-chlorophenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide
CID 20583233
2-(5-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 113208231
6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 171835152
7-chloro-4-oxo-1H-quinoline-3-carbonyl chloride
CID 54380984
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 113208767
6-chloro-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 18473143
8-chloro-N-[(4-chlorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 10427772
N-[(4-chlorophenyl)methyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206537
N-[(4-chlorophenyl)methyl]-6-(2-hydroxyethoxy)-4-oxo-1H-quinoline-3-carboxamide
CID 18698657
4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 43088257
6-chloro-N-[(2-fluorophenyl)methyl]-1H-indole-3-carboxamide
CID 113206366

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 7-chloro-4-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide (CID 39042088) is 7-chloro-4-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 7-chloro-4-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 7-chloro-4-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide is O=C(NCc1ccncc1)c1c[nH]c2cc(Cl)ccc2c1=O.
What is the InChIKey of 7-chloro-4-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide?
The InChIKey is XCVMGSBGYNNHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c17-11-1-2-12-14(7-11)19-9-13(15(12)21)16(22)20-8-10-3-5-18-6-4-10/h1-7,9H,8H2,(H,19,21)(H,20,22).
What are the key properties of 7-chloro-4-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide?
7-chloro-4-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide has a molecular weight of 313.74 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 39042088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).