[5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 5-morpholin-4-ylpentanoate

C28H32ClN3O5 — CID 130218243

IUPAC[5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 5-morpholin-4-ylpentanoate
SMILESCCN(C(=O)c1c(OC(=O)CCCCN2CCOCC2)c2c(Cl)cccc2n(C)c1=O)c1ccccc1
InChIInChI=1S/C28H32ClN3O5/c1-3-32(20-10-5-4-6-11-20)28(35)25-26(24-21(29)12-9-13-22(24)30(2)27(25)34)37-23(33)14-7-8-15-31-16-18-36-19-17-31/h4-6,9-13H,3,7-8,14-19H2,1-2H3
InChIKeyTYEOXRUMLIMIPJ-UHFFFAOYSA-N
MW526.03 g/mol
LogP4.27
Rot. Bonds9

About [5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 5-morpholin-4-ylpentanoate

[5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 5-morpholin-4-ylpentanoate (PubChem CID 130218243) has the molecular formula C28H32ClN3O5 and a molecular weight of 526.03 g/mol. Its IUPAC name is [5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 5-morpholin-4-ylpentanoate.

Molecular Properties

Compound Name[5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 5-morpholin-4-ylpentanoate
PubChem CID130218243
Molecular FormulaC28H32ClN3O5
Molecular Weight526.03 g/mol
Exact Mass525.20
IUPAC Name[5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 5-morpholin-4-ylpentanoate
SMILESCCN(C(=O)c1c(OC(=O)CCCCN2CCOCC2)c2c(Cl)cccc2n(C)c1=O)c1ccccc1
InChIInChI=1S/C28H32ClN3O5/c1-3-32(20-10-5-4-6-11-20)28(35)25-26(24-21(29)12-9-13-22(24)30(2)27(25)34)37-23(33)14-7-8-15-31-16-18-36-19-17-31/h4-6,9-13H,3,7-8,14-19H2,1-2H3
InChIKeyTYEOXRUMLIMIPJ-UHFFFAOYSA-N
XLogP4.27
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.03
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

5-chloro-N-ethyl-4-[[hydroxy(morpholin-4-yl)methoxy]methoxy]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 145349724
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] (2S)-2-amino-3-methylbutanoate
CID 130218265
[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
sodium bis(5-chloro-N-ethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide)
CID 159773761
[5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate
CID 130217993
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-1-methyl-4-[2-[2-(methylamino)ethylamino]-2-oxoethoxy]-2-oxo-N-phenylquinoline-3-carboxamide
CID 130218182
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
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
5-chloro-N-ethyl-4-hydroxy-1-methyl-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide
CID 70122373

Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 5-morpholin-4-ylpentanoate?
The IUPAC name of [5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 5-morpholin-4-ylpentanoate (CID 130218243) is [5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 5-morpholin-4-ylpentanoate.
What is the SMILES notation for [5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 5-morpholin-4-ylpentanoate?
The canonical SMILES for [5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 5-morpholin-4-ylpentanoate is CCN(C(=O)c1c(OC(=O)CCCCN2CCOCC2)c2c(Cl)cccc2n(C)c1=O)c1ccccc1.
What is the InChIKey of [5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 5-morpholin-4-ylpentanoate?
The InChIKey is TYEOXRUMLIMIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN3O5/c1-3-32(20-10-5-4-6-11-20)28(35)25-26(24-21(29)12-9-13-22(24)30(2)27(25)34)37-23(33)14-7-8-15-31-16-18-36-19-17-31/h4-6,9-13H,3,7-8,14-19H2,1-2H3.
What are the key properties of [5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 5-morpholin-4-ylpentanoate?
[5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 5-morpholin-4-ylpentanoate has a molecular weight of 526.03 g/mol, XLogP of 4.27, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl] 5-morpholin-4-ylpentanoate is sourced from PubChem (CID 130218243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).