N-(4-bromo-2-ethylphenyl)-2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxamide

C26H22Br2N2O — CID 17258303

IUPACN-(4-bromo-2-ethylphenyl)-2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)c1cc(-c2ccc(Br)cc2)nc2c(C)cc(C)cc12
InChIInChI=1S/C26H22Br2N2O/c1-4-17-13-20(28)9-10-23(17)30-26(31)22-14-24(18-5-7-19(27)8-6-18)29-25-16(3)11-15(2)12-21(22)25/h5-14H,4H2,1-3H3,(H,30,31)
InChIKeyHQRWYYQGZNOOMX-UHFFFAOYSA-N
MW538.28 g/mol
LogP7.86
Rot. Bonds4

About N-(4-bromo-2-ethylphenyl)-2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxamide

N-(4-bromo-2-ethylphenyl)-2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxamide (PubChem CID 17258303) has the molecular formula C26H22Br2N2O and a molecular weight of 538.28 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxamide
PubChem CID17258303
Molecular FormulaC26H22Br2N2O
Molecular Weight538.28 g/mol
Exact Mass536.01
IUPAC NameN-(4-bromo-2-ethylphenyl)-2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)c1cc(-c2ccc(Br)cc2)nc2c(C)cc(C)cc12
InChIInChI=1S/C26H22Br2N2O/c1-4-17-13-20(28)9-10-23(17)30-26(31)22-14-24(18-5-7-19(27)8-6-18)29-25-16(3)11-15(2)12-21(22)25/h5-14H,4H2,1-3H3,(H,30,31)
InChIKeyHQRWYYQGZNOOMX-UHFFFAOYSA-N
XLogP7.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.28
LogP ≤ 57.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17258584
N-(3,5-dimethylphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 17260240
ethyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17261151
N-(4-bromo-2-ethylphenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647961
methyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648155
2-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17261439
N-(4-bromo-2,3-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647594
N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647635
N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647611
2-(4-bromophenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 4289589
N-(4-bromo-2-ethylphenyl)-2-methylbenzamide
CID 81003246
6-bromo-N-(2,6-dimethylphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4217087

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxamide (CID 17258303) is N-(4-bromo-2-ethylphenyl)-2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxamide is CCc1cc(Br)ccc1NC(=O)c1cc(-c2ccc(Br)cc2)nc2c(C)cc(C)cc12.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxamide?
The InChIKey is HQRWYYQGZNOOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Br2N2O/c1-4-17-13-20(28)9-10-23(17)30-26(31)22-14-24(18-5-7-19(27)8-6-18)29-25-16(3)11-15(2)12-21(22)25/h5-14H,4H2,1-3H3,(H,30,31).
What are the key properties of N-(4-bromo-2-ethylphenyl)-2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxamide?
N-(4-bromo-2-ethylphenyl)-2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxamide has a molecular weight of 538.28 g/mol, XLogP of 7.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 17258303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).