N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide

C29H24N2O2 — CID 121084310

IUPACN-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
SMILESO=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H24N2O2/c32-28(23-15-13-22(14-16-23)21-8-3-1-4-9-21)30-26-17-18-27-25(20-26)12-7-19-31(27)29(33)24-10-5-2-6-11-24/h1-6,8-11,13-18,20H,7,12,19H2,(H,30,32)
InChIKeyKOXNUKQDSBGUNH-UHFFFAOYSA-N
MW432.52 g/mol
LogP6.20
Rot. Bonds4

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

N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide (PubChem CID 121084310) has the molecular formula C29H24N2O2 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
PubChem CID121084310
Molecular FormulaC29H24N2O2
Molecular Weight432.52 g/mol
Exact Mass432.18
IUPAC NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
SMILESO=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H24N2O2/c32-28(23-15-13-22(14-16-23)21-8-3-1-4-9-21)30-26-17-18-27-25(20-26)12-7-19-31(27)29(33)24-10-5-2-6-11-24/h1-6,8-11,13-18,20H,7,12,19H2,(H,30,32)
InChIKeyKOXNUKQDSBGUNH-UHFFFAOYSA-N
XLogP6.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide
CID 27557623
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-fluorobenzamide
CID 27557625
methyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 16834631
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 7658010
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7656757
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide
CID 3541809
4-methyl-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 112505958
5-benzamido-2,3-dihydroindole-1-carboxylic acid
CID 23147979
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)butanamide
CID 939823
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-nitrobenzamide
CID 16835048
(4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 67839485
1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(2-phenylethyl)urea
CID 30374073

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide?
The IUPAC name of N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide (CID 121084310) is N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide.
What is the SMILES notation for N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide?
The canonical SMILES for N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide is O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide?
The InChIKey is KOXNUKQDSBGUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O2/c32-28(23-15-13-22(14-16-23)21-8-3-1-4-9-21)30-26-17-18-27-25(20-26)12-7-19-31(27)29(33)24-10-5-2-6-11-24/h1-6,8-11,13-18,20H,7,12,19H2,(H,30,32).
What are the key properties of N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide?
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide has a molecular weight of 432.52 g/mol, XLogP of 6.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide is sourced from PubChem (CID 121084310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).