2-chloro-N-(2-oxo-4-phenyl-1H-quinolin-3-yl)benzamide

C22H15ClN2O2 — CID 10619449

IUPAC2-chloro-N-(2-oxo-4-phenyl-1H-quinolin-3-yl)benzamide
SMILESO=C(Nc1c(-c2ccccc2)c2ccccc2[nH]c1=O)c1ccccc1Cl
InChIInChI=1S/C22H15ClN2O2/c23-17-12-6-4-10-15(17)21(26)25-20-19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)24-22(20)27/h1-13H,(H,24,27)(H,25,26)
InChIKeyBSFCMBRYNXLTKP-UHFFFAOYSA-N
MW374.83 g/mol
LogP5.10
Rot. Bonds3

About 2-chloro-N-(2-oxo-4-phenyl-1H-quinolin-3-yl)benzamide

2-chloro-N-(2-oxo-4-phenyl-1H-quinolin-3-yl)benzamide (PubChem CID 10619449) has the molecular formula C22H15ClN2O2 and a molecular weight of 374.83 g/mol. Its IUPAC name is 2-chloro-N-(2-oxo-4-phenyl-1H-quinolin-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-oxo-4-phenyl-1H-quinolin-3-yl)benzamide
PubChem CID10619449
Molecular FormulaC22H15ClN2O2
Molecular Weight374.83 g/mol
Exact Mass374.08
IUPAC Name2-chloro-N-(2-oxo-4-phenyl-1H-quinolin-3-yl)benzamide
SMILESO=C(Nc1c(-c2ccccc2)c2ccccc2[nH]c1=O)c1ccccc1Cl
InChIInChI=1S/C22H15ClN2O2/c23-17-12-6-4-10-15(17)21(26)25-20-19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)24-22(20)27/h1-13H,(H,24,27)(H,25,26)
InChIKeyBSFCMBRYNXLTKP-UHFFFAOYSA-N
XLogP5.10
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.83
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-oxo-4-phenyl-1H-quinolin-3-yl)benzamide?
The IUPAC name of 2-chloro-N-(2-oxo-4-phenyl-1H-quinolin-3-yl)benzamide (CID 10619449) is 2-chloro-N-(2-oxo-4-phenyl-1H-quinolin-3-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-oxo-4-phenyl-1H-quinolin-3-yl)benzamide?
The canonical SMILES for 2-chloro-N-(2-oxo-4-phenyl-1H-quinolin-3-yl)benzamide is O=C(Nc1c(-c2ccccc2)c2ccccc2[nH]c1=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-oxo-4-phenyl-1H-quinolin-3-yl)benzamide?
The InChIKey is BSFCMBRYNXLTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O2/c23-17-12-6-4-10-15(17)21(26)25-20-19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)24-22(20)27/h1-13H,(H,24,27)(H,25,26).
What are the key properties of 2-chloro-N-(2-oxo-4-phenyl-1H-quinolin-3-yl)benzamide?
2-chloro-N-(2-oxo-4-phenyl-1H-quinolin-3-yl)benzamide has a molecular weight of 374.83 g/mol, XLogP of 5.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-oxo-4-phenyl-1H-quinolin-3-yl)benzamide is sourced from PubChem (CID 10619449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).