6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-8-methyl-2-oxo-1H-quinoline-4-carboxamide

C20H17Cl3N2O3 — CID 90355573

IUPAC6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-8-methyl-2-oxo-1H-quinoline-4-carboxamide
SMILESCc1cc(Cl)cc2c(C(=O)NCCCc3ccc(Cl)c(Cl)c3)c(O)c(=O)[nH]c12
InChIInChI=1S/C20H17Cl3N2O3/c1-10-7-12(21)9-13-16(18(26)20(28)25-17(10)13)19(27)24-6-2-3-11-4-5-14(22)15(23)8-11/h4-5,7-9,26H,2-3,6H2,1H3,(H,24,27)(H,25,28)
InChIKeyPOPBGVAZJNLVDM-UHFFFAOYSA-N
MW439.73 g/mol
LogP4.86
Rot. Bonds5

About 6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-8-methyl-2-oxo-1H-quinoline-4-carboxamide

6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-8-methyl-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 90355573) 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-8-methyl-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-8-methyl-2-oxo-1H-quinoline-4-carboxamide
PubChem CID90355573
Molecular FormulaC20H17Cl3N2O3
Molecular Weight439.73 g/mol
Exact Mass438.03
IUPAC Name6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-8-methyl-2-oxo-1H-quinoline-4-carboxamide
SMILESCc1cc(Cl)cc2c(C(=O)NCCCc3ccc(Cl)c(Cl)c3)c(O)c(=O)[nH]c12
InChIInChI=1S/C20H17Cl3N2O3/c1-10-7-12(21)9-13-16(18(26)20(28)25-17(10)13)19(27)24-6-2-3-11-4-5-14(22)15(23)8-11/h4-5,7-9,26H,2-3,6H2,1H3,(H,24,27)(H,25,28)
InChIKeyPOPBGVAZJNLVDM-UHFFFAOYSA-N
XLogP4.86
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.73
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide
CID 89478174
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
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]-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
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]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 60583878
[4-[3-(3,4-dichlorophenyl)propylcarbamoyl]-1-methyl-2-oxoquinolin-3-yl] trifluoromethanesulfonate
CID 90355540
N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-(1-hydroxy-2-phenylethyl)-2-oxopyridine-4-carboxamide
CID 90342535
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-1-phenyl-2H-pyrrole-3-carboxamide
CID 89489395
N-[3-(3,4-dichlorophenyl)propyl]-1-[(1S)-1-(4-fluorophenyl)ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 90302353

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-8-methyl-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of 6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-8-methyl-2-oxo-1H-quinoline-4-carboxamide (CID 90355573) is 6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-8-methyl-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-8-methyl-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for 6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-8-methyl-2-oxo-1H-quinoline-4-carboxamide is Cc1cc(Cl)cc2c(C(=O)NCCCc3ccc(Cl)c(Cl)c3)c(O)c(=O)[nH]c12.
What is the InChIKey of 6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-8-methyl-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is POPBGVAZJNLVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl3N2O3/c1-10-7-12(21)9-13-16(18(26)20(28)25-17(10)13)19(27)24-6-2-3-11-4-5-14(22)15(23)8-11/h4-5,7-9,26H,2-3,6H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-8-methyl-2-oxo-1H-quinoline-4-carboxamide?
6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-8-methyl-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 439.73 g/mol, XLogP of 4.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-8-methyl-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 90355573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).