1-[(4-chlorophenyl)methyl]-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide

C22H16ClN3O2 — CID 118055361

IUPAC1-[(4-chlorophenyl)methyl]-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide
SMILESO=C(Nc1ccccn1)c1cn(Cc2ccc(Cl)cc2)c2ccccc2c1=O
InChIInChI=1S/C22H16ClN3O2/c23-16-10-8-15(9-11-16)13-26-14-18(21(27)17-5-1-2-6-19(17)26)22(28)25-20-7-3-4-12-24-20/h1-12,14H,13H2,(H,24,25,28)
InChIKeyVCCFEOYISBUHQF-UHFFFAOYSA-N
MW389.84 g/mol
LogP4.35
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide

1-[(4-chlorophenyl)methyl]-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide (PubChem CID 118055361) has the molecular formula C22H16ClN3O2 and a molecular weight of 389.84 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide
PubChem CID118055361
Molecular FormulaC22H16ClN3O2
Molecular Weight389.84 g/mol
Exact Mass389.09
IUPAC Name1-[(4-chlorophenyl)methyl]-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide
SMILESO=C(Nc1ccccn1)c1cn(Cc2ccc(Cl)cc2)c2ccccc2c1=O
InChIInChI=1S/C22H16ClN3O2/c23-16-10-8-15(9-11-16)13-26-14-18(21(27)17-5-1-2-6-19(17)26)22(28)25-20-7-3-4-12-24-20/h1-12,14H,13H2,(H,24,25,28)
InChIKeyVCCFEOYISBUHQF-UHFFFAOYSA-N
XLogP4.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide (CID 118055361) is 1-[(4-chlorophenyl)methyl]-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide is O=C(Nc1ccccn1)c1cn(Cc2ccc(Cl)cc2)c2ccccc2c1=O.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide?
The InChIKey is VCCFEOYISBUHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O2/c23-16-10-8-15(9-11-16)13-26-14-18(21(27)17-5-1-2-6-19(17)26)22(28)25-20-7-3-4-12-24-20/h1-12,14H,13H2,(H,24,25,28).
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide?
1-[(4-chlorophenyl)methyl]-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide has a molecular weight of 389.84 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide is sourced from PubChem (CID 118055361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).