3-chloro-N-[(7-methoxy-4-oxo-1-phenylquinolin-3-yl)methyl]benzamide

C24H19ClN2O3 — CID 141352866

IUPAC3-chloro-N-[(7-methoxy-4-oxo-1-phenylquinolin-3-yl)methyl]benzamide
SMILESCOc1ccc2c(=O)c(CNC(=O)c3cccc(Cl)c3)cn(-c3ccccc3)c2c1
InChIInChI=1S/C24H19ClN2O3/c1-30-20-10-11-21-22(13-20)27(19-8-3-2-4-9-19)15-17(23(21)28)14-26-24(29)16-6-5-7-18(25)12-16/h2-13,15H,14H2,1H3,(H,26,29)
InChIKeyBISGLIOCGYXNQN-UHFFFAOYSA-N
MW418.88 g/mol
LogP4.58
Rot. Bonds5

About 3-chloro-N-[(7-methoxy-4-oxo-1-phenylquinolin-3-yl)methyl]benzamide

3-chloro-N-[(7-methoxy-4-oxo-1-phenylquinolin-3-yl)methyl]benzamide (PubChem CID 141352866) has the molecular formula C24H19ClN2O3 and a molecular weight of 418.88 g/mol. Its IUPAC name is 3-chloro-N-[(7-methoxy-4-oxo-1-phenylquinolin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(7-methoxy-4-oxo-1-phenylquinolin-3-yl)methyl]benzamide
PubChem CID141352866
Molecular FormulaC24H19ClN2O3
Molecular Weight418.88 g/mol
Exact Mass418.11
IUPAC Name3-chloro-N-[(7-methoxy-4-oxo-1-phenylquinolin-3-yl)methyl]benzamide
SMILESCOc1ccc2c(=O)c(CNC(=O)c3cccc(Cl)c3)cn(-c3ccccc3)c2c1
InChIInChI=1S/C24H19ClN2O3/c1-30-20-10-11-21-22(13-20)27(19-8-3-2-4-9-19)15-17(23(21)28)14-26-24(29)16-6-5-7-18(25)12-16/h2-13,15H,14H2,1H3,(H,26,29)
InChIKeyBISGLIOCGYXNQN-UHFFFAOYSA-N
XLogP4.58
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-4-carboxamide
CID 71217344
N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-methoxypyridine-3-carboxamide
CID 71208877
N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-4-(4-hydroxy-4-methylpentanoyl)benzamide
CID 152823113
1-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 71208229
6-(2-methoxyethylamino)-N-[(7-methyl-4-oxo-1-phenylquinolin-3-yl)methyl]pyridine-3-carboxamide
CID 123565135
N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-(4-methylsulfonylpiperidin-1-yl)pyridine-3-carboxamide
CID 71217358
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
tert-butyl (1S,4S)-5-[5-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methylcarbamoyl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 71208393
tert-butyl 5-[5-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methylcarbamoyl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 71209027
3-chloro-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 27231758
3-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide
CID 90536049
tert-butyl 8-[5-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methylcarbamoyl]-2-pyridinyl]-5,8-diazatricyclo[4.2.0.01,3]octane-5-carboxylate
CID 71230433

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(7-methoxy-4-oxo-1-phenylquinolin-3-yl)methyl]benzamide?
The IUPAC name of 3-chloro-N-[(7-methoxy-4-oxo-1-phenylquinolin-3-yl)methyl]benzamide (CID 141352866) is 3-chloro-N-[(7-methoxy-4-oxo-1-phenylquinolin-3-yl)methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(7-methoxy-4-oxo-1-phenylquinolin-3-yl)methyl]benzamide?
The canonical SMILES for 3-chloro-N-[(7-methoxy-4-oxo-1-phenylquinolin-3-yl)methyl]benzamide is COc1ccc2c(=O)c(CNC(=O)c3cccc(Cl)c3)cn(-c3ccccc3)c2c1.
What is the InChIKey of 3-chloro-N-[(7-methoxy-4-oxo-1-phenylquinolin-3-yl)methyl]benzamide?
The InChIKey is BISGLIOCGYXNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O3/c1-30-20-10-11-21-22(13-20)27(19-8-3-2-4-9-19)15-17(23(21)28)14-26-24(29)16-6-5-7-18(25)12-16/h2-13,15H,14H2,1H3,(H,26,29).
What are the key properties of 3-chloro-N-[(7-methoxy-4-oxo-1-phenylquinolin-3-yl)methyl]benzamide?
3-chloro-N-[(7-methoxy-4-oxo-1-phenylquinolin-3-yl)methyl]benzamide has a molecular weight of 418.88 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(7-methoxy-4-oxo-1-phenylquinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 141352866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).