6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide

C20H17Cl3N2O3 — CID 89478174

IUPAC6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)c(O)c(C(=O)NCCCc2ccc(Cl)c(Cl)c2)c2cc(Cl)ccc21
InChIInChI=1S/C20H17Cl3N2O3/c1-25-16-7-5-12(21)10-13(16)17(18(26)20(25)28)19(27)24-8-2-3-11-4-6-14(22)15(23)9-11/h4-7,9-10,26H,2-3,8H2,1H3,(H,24,27)
InChIKeyFIOJLFGUSYJUQN-UHFFFAOYSA-N
MW439.73 g/mol
LogP4.57
Rot. Bonds5

About 6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide

6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide (PubChem CID 89478174) has the molecular formula C20H17Cl3N2O3 and a molecular weight of 439.73 g/mol. Its IUPAC name is 6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide
PubChem CID89478174
Molecular FormulaC20H17Cl3N2O3
Molecular Weight439.73 g/mol
Exact Mass438.03
IUPAC Name6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)c(O)c(C(=O)NCCCc2ccc(Cl)c(Cl)c2)c2cc(Cl)ccc21
InChIInChI=1S/C20H17Cl3N2O3/c1-25-16-7-5-12(21)10-13(16)17(18(26)20(25)28)19(27)24-8-2-3-11-4-6-14(22)15(23)9-11/h4-7,9-10,26H,2-3,8H2,1H3,(H,24,27)
InChIKeyFIOJLFGUSYJUQN-UHFFFAOYSA-N
XLogP4.57
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.73
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,4-dichlorophenyl)propyl]-5-hydroxy-1,2,3-trimethyl-6-oxopyridine-4-carboxamide
CID 71547881
N-[3-(3,4-dichlorophenyl)propyl]-1-methyl-3-(methylamino)-2-oxoquinoline-4-carboxamide
CID 89491205
6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-8-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 90355573
[4-[3-(3,4-dichlorophenyl)propylcarbamoyl]-1-methyl-2-oxoquinolin-3-yl] trifluoromethanesulfonate
CID 90355540
N-[3-(3,4-dichlorophenyl)propyl]-6-[4-(dimethylcarbamoyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
CID 71547310
N-[3-(3,4-dichlorophenyl)propyl]-6-(4-fluorophenyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide;bis(N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-6-(3-methylphenyl)-2-oxopyridine-4-carboxamide)
CID 158851843
1-[2-[acetyl(methyl)amino]ethyl]-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 118014439
2-(2-chlorophenyl)-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 89489304
N-[3-(3,4-dichlorophenyl)propyl]-2-(2,2-dimethylpropyl)-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide
CID 90306289
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxamide
CID 90306327
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2-propyl-1,2-dihydropyrrole-3-carboxamide
CID 118457366
N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-(1-hydroxy-2-phenylethyl)-2-oxopyridine-4-carboxamide
CID 90342535

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of 6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide (CID 89478174) is 6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for 6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide is Cn1c(=O)c(O)c(C(=O)NCCCc2ccc(Cl)c(Cl)c2)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide?
The InChIKey is FIOJLFGUSYJUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl3N2O3/c1-25-16-7-5-12(21)10-13(16)17(18(26)20(25)28)19(27)24-8-2-3-11-4-6-14(22)15(23)9-11/h4-7,9-10,26H,2-3,8H2,1H3,(H,24,27).
What are the key properties of 6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide?
6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide has a molecular weight of 439.73 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 89478174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).