N-(1-benzoyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl)benzamide

C24H21BrN2O2 — CID 21092854

IUPACN-(1-benzoyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl)benzamide
SMILESCC1CC(NC(=O)c2ccccc2)c2cc(Br)ccc2N1C(=O)c1ccccc1
InChIInChI=1S/C24H21BrN2O2/c1-16-14-21(26-23(28)17-8-4-2-5-9-17)20-15-19(25)12-13-22(20)27(16)24(29)18-10-6-3-7-11-18/h2-13,15-16,21H,14H2,1H3,(H,26,28)
InChIKeyWXLIXBFIXXDESP-UHFFFAOYSA-N
MW449.35 g/mol
LogP5.36
Rot. Bonds3

About N-(1-benzoyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl)benzamide

N-(1-benzoyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl)benzamide (PubChem CID 21092854) has the molecular formula C24H21BrN2O2 and a molecular weight of 449.35 g/mol. Its IUPAC name is N-(1-benzoyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl)benzamide.

Molecular Properties

Compound NameN-(1-benzoyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl)benzamide
PubChem CID21092854
Molecular FormulaC24H21BrN2O2
Molecular Weight449.35 g/mol
Exact Mass448.08
IUPAC NameN-(1-benzoyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl)benzamide
SMILESCC1CC(NC(=O)c2ccccc2)c2cc(Br)ccc2N1C(=O)c1ccccc1
InChIInChI=1S/C24H21BrN2O2/c1-16-14-21(26-23(28)17-8-4-2-5-9-17)20-15-19(25)12-13-22(20)27(16)24(29)18-10-6-3-7-11-18/h2-13,15-16,21H,14H2,1H3,(H,26,28)
InChIKeyWXLIXBFIXXDESP-UHFFFAOYSA-N
XLogP5.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.35
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-bromophenyl)methanone
CID 2843974
[(2R,4R)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
CID 118870735
[6-methoxy-4-(4-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
CID 3843727
cyclobutyl N-[(2R,4S)-1-acetyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 52936109
[1-(6-chloropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamic acid
CID 21092862
benzyl N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 68918237
[(2R,4R)-1-(4-bromobenzoyl)-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl] acetate
CID 7343258
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone
CID 584780
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
CID 585634
[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methoxyphenyl)methanone
CID 1102966
[(2S,7S)-1-benzoyl-2,7-dimethyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinolin-6-yl]-phenylmethanone
CID 7053300
N-[(2R,4S)-1-(4-bromobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 21093039

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl)benzamide?
The IUPAC name of N-(1-benzoyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl)benzamide (CID 21092854) is N-(1-benzoyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl)benzamide.
What is the SMILES notation for N-(1-benzoyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl)benzamide?
The canonical SMILES for N-(1-benzoyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl)benzamide is CC1CC(NC(=O)c2ccccc2)c2cc(Br)ccc2N1C(=O)c1ccccc1.
What is the InChIKey of N-(1-benzoyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl)benzamide?
The InChIKey is WXLIXBFIXXDESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN2O2/c1-16-14-21(26-23(28)17-8-4-2-5-9-17)20-15-19(25)12-13-22(20)27(16)24(29)18-10-6-3-7-11-18/h2-13,15-16,21H,14H2,1H3,(H,26,28).
What are the key properties of N-(1-benzoyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl)benzamide?
N-(1-benzoyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl)benzamide has a molecular weight of 449.35 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoyl-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-4-yl)benzamide is sourced from PubChem (CID 21092854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).