6-bromo-2-(4-chlorophenyl)-N-(4-iodophenyl)-8-methylquinoline-4-carboxamide

C23H15BrClIN2O — CID 5092601

IUPAC6-bromo-2-(4-chlorophenyl)-N-(4-iodophenyl)-8-methylquinoline-4-carboxamide
SMILESCc1cc(Br)cc2c(C(=O)Nc3ccc(I)cc3)cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C23H15BrClIN2O/c1-13-10-15(24)11-19-20(23(29)27-18-8-6-17(26)7-9-18)12-21(28-22(13)19)14-2-4-16(25)5-3-14/h2-12H,1H3,(H,27,29)
InChIKeyQFTWUOULADNPCO-UHFFFAOYSA-N
MW577.65 g/mol
LogP7.48
Rot. Bonds3

About 6-bromo-2-(4-chlorophenyl)-N-(4-iodophenyl)-8-methylquinoline-4-carboxamide

6-bromo-2-(4-chlorophenyl)-N-(4-iodophenyl)-8-methylquinoline-4-carboxamide (PubChem CID 5092601) has the molecular formula C23H15BrClIN2O and a molecular weight of 577.65 g/mol. Its IUPAC name is 6-bromo-2-(4-chlorophenyl)-N-(4-iodophenyl)-8-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-2-(4-chlorophenyl)-N-(4-iodophenyl)-8-methylquinoline-4-carboxamide
PubChem CID5092601
Molecular FormulaC23H15BrClIN2O
Molecular Weight577.65 g/mol
Exact Mass575.91
IUPAC Name6-bromo-2-(4-chlorophenyl)-N-(4-iodophenyl)-8-methylquinoline-4-carboxamide
SMILESCc1cc(Br)cc2c(C(=O)Nc3ccc(I)cc3)cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C23H15BrClIN2O/c1-13-10-15(24)11-19-20(23(29)27-18-8-6-17(26)7-9-18)12-21(28-22(13)19)14-2-4-16(25)5-3-14/h2-12H,1H3,(H,27,29)
InChIKeyQFTWUOULADNPCO-UHFFFAOYSA-N
XLogP7.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.65
LogP ≤ 57.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-(5-chloro-2-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19646659
6-bromo-N-(2,6-dimethylphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4217087
2-(4-chlorophenyl)-6,8-dimethyl-N-(4-phenoxyphenyl)quinoline-4-carboxamide
CID 9497835
6-bromo-N-(3-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19646657
N-(3,5-dimethylphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 17260240
2-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17261439
6-bromo-N-(4-bromo-2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 4595679
N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 5026122
N-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647615
N-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17258584
N-(2,5-dichlorophenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647463
N-(4-bromo-2-ethylphenyl)-2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17258303

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-chlorophenyl)-N-(4-iodophenyl)-8-methylquinoline-4-carboxamide?
The IUPAC name of 6-bromo-2-(4-chlorophenyl)-N-(4-iodophenyl)-8-methylquinoline-4-carboxamide (CID 5092601) is 6-bromo-2-(4-chlorophenyl)-N-(4-iodophenyl)-8-methylquinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-2-(4-chlorophenyl)-N-(4-iodophenyl)-8-methylquinoline-4-carboxamide?
The canonical SMILES for 6-bromo-2-(4-chlorophenyl)-N-(4-iodophenyl)-8-methylquinoline-4-carboxamide is Cc1cc(Br)cc2c(C(=O)Nc3ccc(I)cc3)cc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 6-bromo-2-(4-chlorophenyl)-N-(4-iodophenyl)-8-methylquinoline-4-carboxamide?
The InChIKey is QFTWUOULADNPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15BrClIN2O/c1-13-10-15(24)11-19-20(23(29)27-18-8-6-17(26)7-9-18)12-21(28-22(13)19)14-2-4-16(25)5-3-14/h2-12H,1H3,(H,27,29).
What are the key properties of 6-bromo-2-(4-chlorophenyl)-N-(4-iodophenyl)-8-methylquinoline-4-carboxamide?
6-bromo-2-(4-chlorophenyl)-N-(4-iodophenyl)-8-methylquinoline-4-carboxamide has a molecular weight of 577.65 g/mol, XLogP of 7.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-chlorophenyl)-N-(4-iodophenyl)-8-methylquinoline-4-carboxamide is sourced from PubChem (CID 5092601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).