N-[2-(4-chlorophenyl)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide

C21H21ClN2O3 — CID 54704913

IUPACN-[2-(4-chlorophenyl)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
SMILESCCCn1c(=O)c(C(=O)NCCc2ccc(Cl)cc2)c(O)c2ccccc21
InChIInChI=1S/C21H21ClN2O3/c1-2-13-24-17-6-4-3-5-16(17)19(25)18(21(24)27)20(26)23-12-11-14-7-9-15(22)10-8-14/h3-10,25H,2,11-13H2,1H3,(H,23,26)
InChIKeyYUYSPVNHYRIDBV-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.74
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide (PubChem CID 54704913) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
PubChem CID54704913
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
SMILESCCCn1c(=O)c(C(=O)NCCc2ccc(Cl)cc2)c(O)c2ccccc21
InChIInChI=1S/C21H21ClN2O3/c1-2-13-24-17-6-4-3-5-16(17)19(25)18(21(24)27)20(26)23-12-11-14-7-9-15(22)10-8-14/h3-10,25H,2,11-13H2,1H3,(H,23,26)
InChIKeyYUYSPVNHYRIDBV-UHFFFAOYSA-N
XLogP3.74
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Laquinimod
CID 54677946
Roquinimex
CID 54676478
Paquinimod
CID 54684617
3-Phenyl-4-hydroxy-7-chloroquinolin-2(1H)-one
CID 54697468
N-(1-Benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl)glycine
CID 54685215
3-Quinolinecarboxamide, 1,2-dihydro-N-hexyl-4-hydroxy-2-oxo-
CID 54677800
N-benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54680441
3-Quinolinecarboxamide, 1,2-dihydro-4-hydroxy-N-(1-methylethyl)-2-oxo-
CID 54679386
(7-Chloro-2,4-dihydroxyquinolin-3-yl)(phenyl)methanone
CID 135470372
1-Butyl-4-hydroxy-N-(3-methylphenyl)-2-oxo-1,2-dihydro-3-quinolinecarboxamide
CID 54683118
N-(2-Chlorobenzyl)-1-ethyl-4-hydroxy-2-oxo-1,2-dihydro-3-quinolinecarboxamide
CID 54687004
1-Butyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid phenethyl-amide
CID 54682638

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide (CID 54704913) is N-[2-(4-chlorophenyl)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide is CCCn1c(=O)c(C(=O)NCCc2ccc(Cl)cc2)c(O)c2ccccc21.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide?
The InChIKey is YUYSPVNHYRIDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-2-13-24-17-6-4-3-5-16(17)19(25)18(21(24)27)20(26)23-12-11-14-7-9-15(22)10-8-14/h3-10,25H,2,11-13H2,1H3,(H,23,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide has a molecular weight of 384.86 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide is sourced from PubChem (CID 54704913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).