[5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate

C24H27ClN4O4 — CID 130217993

IUPAC[5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate
SMILESCCN(C(=O)c1c(OC(=O)N(C)CCNC)c2c(Cl)cccc2n(C)c1=O)c1ccccc1
InChIInChI=1S/C24H27ClN4O4/c1-5-29(16-10-7-6-8-11-16)23(31)20-21(33-24(32)27(3)15-14-26-2)19-17(25)12-9-13-18(19)28(4)22(20)30/h6-13,26H,5,14-15H2,1-4H3
InChIKeyATUBVBVEWRBYMM-UHFFFAOYSA-N
MW470.96 g/mol
LogP3.51
Rot. Bonds7

About [5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate

[5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate (PubChem CID 130217993) has the molecular formula C24H27ClN4O4 and a molecular weight of 470.96 g/mol. Its IUPAC name is [5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate.

Molecular Properties

Compound Name[5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate
PubChem CID130217993
Molecular FormulaC24H27ClN4O4
Molecular Weight470.96 g/mol
Exact Mass470.17
IUPAC Name[5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate
SMILESCCN(C(=O)c1c(OC(=O)N(C)CCNC)c2c(Cl)cccc2n(C)c1=O)c1ccccc1
InChIInChI=1S/C24H27ClN4O4/c1-5-29(16-10-7-6-8-11-16)23(31)20-21(33-24(32)27(3)15-14-26-2)19-17(25)12-9-13-18(19)28(4)22(20)30/h6-13,26H,5,14-15H2,1-4H3
InChIKeyATUBVBVEWRBYMM-UHFFFAOYSA-N
XLogP3.51
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.96
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate with MolForge

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Related Compounds

5-chloro-N-ethyl-1-methyl-4-[2-[2-(methylamino)ethylamino]-2-oxoethoxy]-2-oxo-N-phenylquinoline-3-carboxamide
CID 130218182
[5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] (2S)-2-amino-3-methylbutanoate
CID 130218265
5-chloro-N-ethyl-4-(3-hydroxypropoxy)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 130205800
sodium bis(5-chloro-N-ethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide)
CID 159773761
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-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 5-morpholin-4-ylpentanoate
CID 130218243
[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
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
5-chloro-N-ethyl-4-hydroxy-1-methyl-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide
CID 70122373
5-chloro-N-ethyl-4-[[hydroxy(morpholin-4-yl)methoxy]methoxy]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 145349724
N,5-diethyl-4-(ethylamino)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 22461068

Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate?
The IUPAC name of [5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate (CID 130217993) is [5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate.
What is the SMILES notation for [5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate?
The canonical SMILES for [5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate is CCN(C(=O)c1c(OC(=O)N(C)CCNC)c2c(Cl)cccc2n(C)c1=O)c1ccccc1.
What is the InChIKey of [5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate?
The InChIKey is ATUBVBVEWRBYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O4/c1-5-29(16-10-7-6-8-11-16)23(31)20-21(33-24(32)27(3)15-14-26-2)19-17(25)12-9-13-18(19)28(4)22(20)30/h6-13,26H,5,14-15H2,1-4H3.
What are the key properties of [5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate?
[5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate has a molecular weight of 470.96 g/mol, XLogP of 3.51, 7 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] N-methyl-N-[2-(methylamino)ethyl]carbamate is sourced from PubChem (CID 130217993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).