6-chloro-N-(4-chlorophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide

C16H14Cl2N2O — CID 134093336

IUPAC6-chloro-N-(4-chlorophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCCc2cc(Cl)ccc21
InChIInChI=1S/C16H14Cl2N2O/c17-12-3-6-14(7-4-12)19-16(21)20-9-1-2-11-10-13(18)5-8-15(11)20/h3-8,10H,1-2,9H2,(H,19,21)
InChIKeyIAEHJAFPMUPKTO-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.98
Rot. Bonds1

About 6-chloro-N-(4-chlorophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide

6-chloro-N-(4-chlorophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 134093336) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 6-chloro-N-(4-chlorophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-chlorophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID134093336
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name6-chloro-N-(4-chlorophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCCc2cc(Cl)ccc21
InChIInChI=1S/C16H14Cl2N2O/c17-12-3-6-14(7-4-12)19-16(21)20-9-1-2-11-10-13(18)5-8-15(11)20/h3-8,10H,1-2,9H2,(H,19,21)
InChIKeyIAEHJAFPMUPKTO-UHFFFAOYSA-N
XLogP4.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-chloro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69222522
6-chloro-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110747484
methyl 6-chloro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 82473511
N-(4-aminophenyl)-7-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69221292
5-chloro-N-cyclohexyl-2,3-dihydroindole-1-carboxamide
CID 110747460
N-(3-chloro-4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide
CID 162489929
6-methyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 170101789
N-(4-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide
CID 44624249
7-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69220426
N-[4-chloro-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108991269
4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27604865
5-chloro-2,3-dihydroindole-1-carboxylic acid
CID 68859490

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-chlorophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of 6-chloro-N-(4-chlorophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide (CID 134093336) is 6-chloro-N-(4-chlorophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-chlorophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for 6-chloro-N-(4-chlorophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCCc2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-N-(4-chlorophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is IAEHJAFPMUPKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c17-12-3-6-14(7-4-12)19-16(21)20-9-1-2-11-10-13(18)5-8-15(11)20/h3-8,10H,1-2,9H2,(H,19,21).
What are the key properties of 6-chloro-N-(4-chlorophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
6-chloro-N-(4-chlorophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 321.21 g/mol, XLogP of 4.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-chlorophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 134093336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).