3-chloro-N-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

C21H19ClN2O2 — CID 1457677

IUPAC3-chloro-N-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCc1ccc2[nH]c(=O)c(CN(C(=O)c3cccc(Cl)c3)C3CC3)cc2c1
InChIInChI=1S/C21H19ClN2O2/c1-13-5-8-19-15(9-13)10-16(20(25)23-19)12-24(18-6-7-18)21(26)14-3-2-4-17(22)11-14/h2-5,8-11,18H,6-7,12H2,1H3,(H,23,25)
InChIKeyWBRPZFZTMSUSCX-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.29
Rot. Bonds4

About 3-chloro-N-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

3-chloro-N-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 1457677) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
PubChem CID1457677
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name3-chloro-N-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCc1ccc2[nH]c(=O)c(CN(C(=O)c3cccc(Cl)c3)C3CC3)cc2c1
InChIInChI=1S/C21H19ClN2O2/c1-13-5-8-19-15(9-13)10-16(20(25)23-19)12-24(18-6-7-18)21(26)14-3-2-4-17(22)11-14/h2-5,8-11,18H,6-7,12H2,1H3,(H,23,25)
InChIKeyWBRPZFZTMSUSCX-UHFFFAOYSA-N
XLogP4.29
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-ethyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3159255
3-chloro-N-(2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 17101052
3-(2-chlorophenyl)-1-cyclopropyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1457667
N-cyclopropyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide
CID 1457654
3-(2-chlorophenyl)-1-cyclopentyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1449416
3-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzamide
CID 1391861
N-(3,4-dimethylphenyl)-3-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1392960
1-cyclopentyl-3-ethyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 863738
3-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylbenzamide
CID 1242780
N-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide
CID 1459156
N-cyclopentyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3194180
1-cyclopentyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methylphenyl)thiourea
CID 1141809

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The IUPAC name of 3-chloro-N-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 1457677) is 3-chloro-N-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.
What is the SMILES notation for 3-chloro-N-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The canonical SMILES for 3-chloro-N-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is Cc1ccc2[nH]c(=O)c(CN(C(=O)c3cccc(Cl)c3)C3CC3)cc2c1.
What is the InChIKey of 3-chloro-N-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The InChIKey is WBRPZFZTMSUSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c1-13-5-8-19-15(9-13)10-16(20(25)23-19)12-24(18-6-7-18)21(26)14-3-2-4-17(22)11-14/h2-5,8-11,18H,6-7,12H2,1H3,(H,23,25).
What are the key properties of 3-chloro-N-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
3-chloro-N-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 366.85 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 1457677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).