[5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutanoate

C32H30ClN3O5 — CID 130218195

IUPAC[5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutanoate
SMILESCCN(C(=O)c1c(OC(=O)CCC(=O)N[C@@H]2CCc3ccccc32)c2c(Cl)cccc2n(C)c1=O)c1ccccc1
InChIInChI=1S/C32H30ClN3O5/c1-3-36(21-11-5-4-6-12-21)32(40)29-30(28-23(33)14-9-15-25(28)35(2)31(29)39)41-27(38)19-18-26(37)34-24-17-16-20-10-7-8-13-22(20)24/h4-15,24H,3,16-19H2,1-2H3,(H,34,37)/t24-/m1/s1
InChIKeyYAMXCTKLHCFAAF-XMMPIXPASA-N
MW572.06 g/mol
LogP5.35
Rot. Bonds8

About [5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutanoate

[5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutanoate (PubChem CID 130218195) has the molecular formula C32H30ClN3O5 and a molecular weight of 572.06 g/mol. Its IUPAC name is [5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutanoate.

Molecular Properties

Compound Name[5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutanoate
PubChem CID130218195
Molecular FormulaC32H30ClN3O5
Molecular Weight572.06 g/mol
Exact Mass571.19
IUPAC Name[5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutanoate
SMILESCCN(C(=O)c1c(OC(=O)CCC(=O)N[C@@H]2CCc3ccccc32)c2c(Cl)cccc2n(C)c1=O)c1ccccc1
InChIInChI=1S/C32H30ClN3O5/c1-3-36(21-11-5-4-6-12-21)32(40)29-30(28-23(33)14-9-15-25(28)35(2)31(29)39)41-27(38)19-18-26(37)34-24-17-16-20-10-7-8-13-22(20)24/h4-15,24H,3,16-19H2,1-2H3,(H,34,37)/t24-/m1/s1
InChIKeyYAMXCTKLHCFAAF-XMMPIXPASA-N
XLogP5.35
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.06
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutanoate with MolForge

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Launch Full Analysis

Related Compounds

[5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 5-morpholin-4-ylpentanoate
CID 130218243
5-chloro-N-ethyl-4-(3-hydroxypropoxy)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 130205800
[5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate
CID 130217993
1-O-[5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxo-6,7-dihydroquinolin-4-yl] 4-O-[5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] benzene-1,4-dicarboxylate
CID 130218402
sodium 5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-olate
CID 23697158
[5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl]oxymethyl 2-propylpentanoate
CID 130218197
5-chloro-N-ethyl-4-hydroxy-1-methyl-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide
CID 70122373
2-amino-6-[[4-[[5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl]oxymethoxycarbonyl]piperazine-1-carbonyl]amino]hexanoic acid
CID 130218024
zinc N,5-diethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54717328
N-ethyl-4-hydroxy-5-iodo-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 90346178
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
CID 26065485
N-(4-azidophenyl)-5-chloro-N-ethyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
CID 91314834

Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutanoate?
The IUPAC name of [5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutanoate (CID 130218195) is [5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutanoate.
What is the SMILES notation for [5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutanoate?
The canonical SMILES for [5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutanoate is CCN(C(=O)c1c(OC(=O)CCC(=O)N[C@@H]2CCc3ccccc32)c2c(Cl)cccc2n(C)c1=O)c1ccccc1.
What is the InChIKey of [5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutanoate?
The InChIKey is YAMXCTKLHCFAAF-XMMPIXPASA-N. The full InChI is InChI=1S/C32H30ClN3O5/c1-3-36(21-11-5-4-6-12-21)32(40)29-30(28-23(33)14-9-15-25(28)35(2)31(29)39)41-27(38)19-18-26(37)34-24-17-16-20-10-7-8-13-22(20)24/h4-15,24H,3,16-19H2,1-2H3,(H,34,37)/t24-/m1/s1.
What are the key properties of [5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutanoate?
[5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutanoate has a molecular weight of 572.06 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutanoate is sourced from PubChem (CID 130218195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).