methyl 2-[(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]-5-chlorobenzoate

C24H21ClN2O3 — CID 90153145

IUPACmethyl 2-[(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]-5-chlorobenzoate
SMILESCOC(=O)c1cc(Cl)ccc1Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1
InChIInChI=1S/C24H21ClN2O3/c1-30-24(29)20-14-18(25)8-10-21(20)26-19-9-11-22-17(13-19)7-12-23(28)27(22)15-16-5-3-2-4-6-16/h2-6,8-11,13-14,26H,7,12,15H2,1H3
InChIKeyPLHOJNBKUXYSAP-UHFFFAOYSA-N
MW420.90 g/mol
LogP5.35
Rot. Bonds5

About methyl 2-[(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]-5-chlorobenzoate

methyl 2-[(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]-5-chlorobenzoate (PubChem CID 90153145) has the molecular formula C24H21ClN2O3 and a molecular weight of 420.90 g/mol. Its IUPAC name is methyl 2-[(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]-5-chlorobenzoate.

Molecular Properties

Compound Namemethyl 2-[(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]-5-chlorobenzoate
PubChem CID90153145
Molecular FormulaC24H21ClN2O3
Molecular Weight420.90 g/mol
Exact Mass420.12
IUPAC Namemethyl 2-[(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]-5-chlorobenzoate
SMILESCOC(=O)c1cc(Cl)ccc1Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1
InChIInChI=1S/C24H21ClN2O3/c1-30-24(29)20-14-18(25)8-10-21(20)26-19-9-11-22-17(13-19)7-12-23(28)27(22)15-16-5-3-2-4-6-16/h2-6,8-11,13-14,26H,7,12,15H2,1H3
InChIKeyPLHOJNBKUXYSAP-UHFFFAOYSA-N
XLogP5.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.90
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]-5-chlorobenzoate with MolForge

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Related Compounds

N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3,4-trimethoxybenzamide
CID 16926889
1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea
CID 30376488
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-ethylbutanamide
CID 16926863
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,3-dimethylbutanamide
CID 16926905
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide
CID 16926840
1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2-ethoxyphenyl)urea
CID 30376599
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-propan-2-yloxybenzamide
CID 16926847
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzamide
CID 16926919
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4,5-triethoxybenzamide
CID 16926904
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-ethoxyphenyl)acetamide
CID 16926877
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-fluorophenyl)acetamide
CID 16926873
2-[(2-benzyl-1-oxo-3H-isoindol-5-yl)amino]-5-chlorobenzoic acid
CID 90153148

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]-5-chlorobenzoate?
The IUPAC name of methyl 2-[(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]-5-chlorobenzoate (CID 90153145) is methyl 2-[(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]-5-chlorobenzoate.
What is the SMILES notation for methyl 2-[(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]-5-chlorobenzoate?
The canonical SMILES for methyl 2-[(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]-5-chlorobenzoate is COC(=O)c1cc(Cl)ccc1Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1.
What is the InChIKey of methyl 2-[(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]-5-chlorobenzoate?
The InChIKey is PLHOJNBKUXYSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O3/c1-30-24(29)20-14-18(25)8-10-21(20)26-19-9-11-22-17(13-19)7-12-23(28)27(22)15-16-5-3-2-4-6-16/h2-6,8-11,13-14,26H,7,12,15H2,1H3.
What are the key properties of methyl 2-[(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]-5-chlorobenzoate?
methyl 2-[(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]-5-chlorobenzoate has a molecular weight of 420.90 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]-5-chlorobenzoate is sourced from PubChem (CID 90153145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).