3-bromo-N-[3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide

C24H21BrN2O3 — CID 112832703

IUPAC3-bromo-N-[3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
SMILESCOc1cccc2c1N(C(=O)c1cccc(NC(=O)c3cccc(Br)c3)c1)CCC2
InChIInChI=1S/C24H21BrN2O3/c1-30-21-12-4-6-16-9-5-13-27(22(16)21)24(29)18-8-3-11-20(15-18)26-23(28)17-7-2-10-19(25)14-17/h2-4,6-8,10-12,14-15H,5,9,13H2,1H3,(H,26,28)
InChIKeyQSJYGKBHCXJUPB-UHFFFAOYSA-N
MW465.35 g/mol
LogP5.30
Rot. Bonds4

About 3-bromo-N-[3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide

3-bromo-N-[3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide (PubChem CID 112832703) has the molecular formula C24H21BrN2O3 and a molecular weight of 465.35 g/mol. Its IUPAC name is 3-bromo-N-[3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
PubChem CID112832703
Molecular FormulaC24H21BrN2O3
Molecular Weight465.35 g/mol
Exact Mass464.07
IUPAC Name3-bromo-N-[3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
SMILESCOc1cccc2c1N(C(=O)c1cccc(NC(=O)c3cccc(Br)c3)c1)CCC2
InChIInChI=1S/C24H21BrN2O3/c1-30-21-12-4-6-16-9-5-13-27(22(16)21)24(29)18-8-3-11-20(15-18)26-23(28)17-7-2-10-19(25)14-17/h2-4,6-8,10-12,14-15H,5,9,13H2,1H3,(H,26,28)
InChIKeyQSJYGKBHCXJUPB-UHFFFAOYSA-N
XLogP5.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.35
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethoxyphenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17234056
(4-aminophenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60951513
3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 52644751
N-[3-(azepane-1-carbonyl)phenyl]-3-bromo-4-methoxybenzamide
CID 26159299
3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 79421204
2-bromo-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 63681436
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)benzamide
CID 109057134
(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 78843598
N-[2-[[1-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-quinolin-8-yl]oxy]ethyl]acetamide
CID 16764481
3-[[3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 55632813
3-bromo-N-[3-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 118722824
4-bromo-N-(3-bromophenyl)-3,5-dimethoxybenzamide
CID 26687629

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3-bromo-N-[3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide (CID 112832703) is 3-bromo-N-[3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide is COc1cccc2c1N(C(=O)c1cccc(NC(=O)c3cccc(Br)c3)c1)CCC2.
What is the InChIKey of 3-bromo-N-[3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide?
The InChIKey is QSJYGKBHCXJUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN2O3/c1-30-21-12-4-6-16-9-5-13-27(22(16)21)24(29)18-8-3-11-20(15-18)26-23(28)17-7-2-10-19(25)14-17/h2-4,6-8,10-12,14-15H,5,9,13H2,1H3,(H,26,28).
What are the key properties of 3-bromo-N-[3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide?
3-bromo-N-[3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide has a molecular weight of 465.35 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 112832703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).