N-(4-bromo-2-chlorophenyl)-2,6-dimethylquinoline-3-carboxamide

C18H14BrClN2O — CID 24562991

IUPACN-(4-bromo-2-chlorophenyl)-2,6-dimethylquinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)Nc3ccc(Br)cc3Cl)cc2c1
InChIInChI=1S/C18H14BrClN2O/c1-10-3-5-16-12(7-10)8-14(11(2)21-16)18(23)22-17-6-4-13(19)9-15(17)20/h3-9H,1-2H3,(H,22,23)
InChIKeyKKEYDYVEDGSMOS-UHFFFAOYSA-N
MW389.68 g/mol
LogP5.52
Rot. Bonds2

About N-(4-bromo-2-chlorophenyl)-2,6-dimethylquinoline-3-carboxamide

N-(4-bromo-2-chlorophenyl)-2,6-dimethylquinoline-3-carboxamide (PubChem CID 24562991) has the molecular formula C18H14BrClN2O and a molecular weight of 389.68 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2,6-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2,6-dimethylquinoline-3-carboxamide
PubChem CID24562991
Molecular FormulaC18H14BrClN2O
Molecular Weight389.68 g/mol
Exact Mass388.00
IUPAC NameN-(4-bromo-2-chlorophenyl)-2,6-dimethylquinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)Nc3ccc(Br)cc3Cl)cc2c1
InChIInChI=1S/C18H14BrClN2O/c1-10-3-5-16-12(7-10)8-14(11(2)21-16)18(23)22-17-6-4-13(19)9-15(17)20/h3-9H,1-2H3,(H,22,23)
InChIKeyKKEYDYVEDGSMOS-UHFFFAOYSA-N
XLogP5.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.68
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 47299820
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2,6-dimethylquinoline-3-carboxamide
CID 39821091
2-amino-N-(4-bromo-2-chlorophenyl)-5-methylbenzamide
CID 62509847
2,6-dimethyl-N-(2-methylphenyl)quinoline-3-carboxamide
CID 51283578
N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide
CID 34054741
N-(2-chloro-6-methylphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 96566964
N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide
CID 2549224
N-(2-chloro-4-methylphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide
CID 20966408
N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 55805245
N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 2540447
N-(2-bromo-6-fluorophenyl)-2,6-dimethylquinoline-3-carboxamide
CID 100642237
N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2,6-dimethylquinoline-3-carboxamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2,6-dimethylquinoline-3-carboxamide (CID 24562991) is N-(4-bromo-2-chlorophenyl)-2,6-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2,6-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2,6-dimethylquinoline-3-carboxamide is Cc1ccc2nc(C)c(C(=O)Nc3ccc(Br)cc3Cl)cc2c1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2,6-dimethylquinoline-3-carboxamide?
The InChIKey is KKEYDYVEDGSMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClN2O/c1-10-3-5-16-12(7-10)8-14(11(2)21-16)18(23)22-17-6-4-13(19)9-15(17)20/h3-9H,1-2H3,(H,22,23).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2,6-dimethylquinoline-3-carboxamide?
N-(4-bromo-2-chlorophenyl)-2,6-dimethylquinoline-3-carboxamide has a molecular weight of 389.68 g/mol, XLogP of 5.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2,6-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 24562991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).