6-bromo-2-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethyl]quinoline-4-carboxamide

C26H23BrN2O3 — CID 3276685

IUPAC6-bromo-2-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethyl]quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NC(C)c3cccc(OC)c3)c3cc(Br)ccc3n2)c1
InChIInChI=1S/C26H23BrN2O3/c1-16(17-6-4-8-20(12-17)31-2)28-26(30)23-15-25(18-7-5-9-21(13-18)32-3)29-24-11-10-19(27)14-22(23)24/h4-16H,1-3H3,(H,28,30)
InChIKeyKEHUJHGOYDPQIZ-UHFFFAOYSA-N
MW491.39 g/mol
LogP6.17
Rot. Bonds6

About 6-bromo-2-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethyl]quinoline-4-carboxamide

6-bromo-2-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethyl]quinoline-4-carboxamide (PubChem CID 3276685) has the molecular formula C26H23BrN2O3 and a molecular weight of 491.39 g/mol. Its IUPAC name is 6-bromo-2-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-2-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethyl]quinoline-4-carboxamide
PubChem CID3276685
Molecular FormulaC26H23BrN2O3
Molecular Weight491.39 g/mol
Exact Mass490.09
IUPAC Name6-bromo-2-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethyl]quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NC(C)c3cccc(OC)c3)c3cc(Br)ccc3n2)c1
InChIInChI=1S/C26H23BrN2O3/c1-16(17-6-4-8-20(12-17)31-2)28-26(30)23-15-25(18-7-5-9-21(13-18)32-3)29-24-11-10-19(27)14-22(23)24/h4-16H,1-3H3,(H,28,30)
InChIKeyKEHUJHGOYDPQIZ-UHFFFAOYSA-N
XLogP6.17
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.39
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 1257075
6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylate
CID 5103273
6-bromo-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 2220497
2-(3-methoxyphenyl)-6,8-dimethyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 19647752
N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)-6-methylquinoline-4-carboxamide
CID 42659177
N-[1-(3-methoxyphenyl)ethyl]-2-phenylbenzamide
CID 154835213
N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 42749565
[6-bromo-2-(3-methoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 2965405
2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 17329704
N-[1-(4-bromophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 46098159
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 92821447
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 2220812

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 6-bromo-2-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethyl]quinoline-4-carboxamide (CID 3276685) is 6-bromo-2-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-2-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 6-bromo-2-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethyl]quinoline-4-carboxamide is COc1cccc(-c2cc(C(=O)NC(C)c3cccc(OC)c3)c3cc(Br)ccc3n2)c1.
What is the InChIKey of 6-bromo-2-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethyl]quinoline-4-carboxamide?
The InChIKey is KEHUJHGOYDPQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23BrN2O3/c1-16(17-6-4-8-20(12-17)31-2)28-26(30)23-15-25(18-7-5-9-21(13-18)32-3)29-24-11-10-19(27)14-22(23)24/h4-16H,1-3H3,(H,28,30).
What are the key properties of 6-bromo-2-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethyl]quinoline-4-carboxamide?
6-bromo-2-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethyl]quinoline-4-carboxamide has a molecular weight of 491.39 g/mol, XLogP of 6.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 3276685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).