N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide

C27H25BrN2O2 — CID 19647635

IUPACN-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(Br)c(C)c3C)c3cc(C)cc(C)c3n2)cc1
InChIInChI=1S/C27H25BrN2O2/c1-15-12-16(2)26-21(13-15)22(14-25(29-26)19-6-8-20(32-5)9-7-19)27(31)30-24-11-10-23(28)17(3)18(24)4/h6-14H,1-5H3,(H,30,31)
InChIKeyVKPOQHKZINENNO-UHFFFAOYSA-N
MW489.41 g/mol
LogP7.16
Rot. Bonds4

About N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide

N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide (PubChem CID 19647635) has the molecular formula C27H25BrN2O2 and a molecular weight of 489.41 g/mol. Its IUPAC name is N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
PubChem CID19647635
Molecular FormulaC27H25BrN2O2
Molecular Weight489.41 g/mol
Exact Mass488.11
IUPAC NameN-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(Br)c(C)c3C)c3cc(C)cc(C)c3n2)cc1
InChIInChI=1S/C27H25BrN2O2/c1-15-12-16(2)26-21(13-15)22(14-25(29-26)19-6-8-20(32-5)9-7-19)27(31)30-24-11-10-23(28)17(3)18(24)4/h6-14H,1-5H3,(H,30,31)
InChIKeyVKPOQHKZINENNO-UHFFFAOYSA-N
XLogP7.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.41
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2,3-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647594
N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647611
6-bromo-N-(4-bromo-2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 4595679
N-(2,5-dimethoxyphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19647672
N-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647615
2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
CID 46779377
N-(3,5-dimethylphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 17260240
N-(4-bromo-3-methylphenyl)-2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647775
2-bromo-5-methoxy-N-(2,6,8-trimethylquinolin-4-yl)benzamide
CID 43853828
2-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17261439
N-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17258584
N-(4-bromo-2-ethylphenyl)-2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17258303

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide?
The IUPAC name of N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide (CID 19647635) is N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc(Br)c(C)c3C)c3cc(C)cc(C)c3n2)cc1.
What is the InChIKey of N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide?
The InChIKey is VKPOQHKZINENNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25BrN2O2/c1-15-12-16(2)26-21(13-15)22(14-25(29-26)19-6-8-20(32-5)9-7-19)27(31)30-24-11-10-23(28)17(3)18(24)4/h6-14H,1-5H3,(H,30,31).
What are the key properties of N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide?
N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide has a molecular weight of 489.41 g/mol, XLogP of 7.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 19647635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).