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

C20H22N2O2 — CID 939823

IUPACN-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-2-7-19(23)21-17-11-12-18-16(14-17)10-6-13-22(18)20(24)15-8-4-3-5-9-15/h3-5,8-9,11-12,14H,2,6-7,10,13H2,1H3,(H,21,23)
InChIKeyWEMOBKWXWYYAEQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.02
Rot. Bonds4

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

N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)butanamide (PubChem CID 939823) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)butanamide.

Molecular Properties

Compound NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)butanamide
PubChem CID939823
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-2-7-19(23)21-17-11-12-18-16(14-17)10-6-13-22(18)20(24)15-8-4-3-5-9-15/h3-5,8-9,11-12,14H,2,6-7,10,13H2,1H3,(H,21,23)
InChIKeyWEMOBKWXWYYAEQ-UHFFFAOYSA-N
XLogP4.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide
CID 3541809
methyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 16834631
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-thiophen-2-ylpropanamide
CID 110303769
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 121084310
1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(2-phenylethyl)urea
CID 30374073
1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3,4-dimethoxyphenyl)urea
CID 30374067
4-[[1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]amino]-4-oxobutanoate
CID 7279097
N-(1-benzoyl-2,3-dihydroindol-5-yl)-2-phenoxyacetamide
CID 112506133
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-fluorobenzamide
CID 27557625
N-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]propanamide
CID 17309643
ethyl 2-[(1-benzoyl-2,3-dihydroindol-5-yl)amino]-2-oxoacetate
CID 112506147
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-2-(3-methylphenyl)acetamide
CID 27537491

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)butanamide?
The IUPAC name of N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)butanamide (CID 939823) is N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)butanamide.
What is the SMILES notation for N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)butanamide?
The canonical SMILES for N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)butanamide is CCCC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1.
What is the InChIKey of N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)butanamide?
The InChIKey is WEMOBKWXWYYAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-2-7-19(23)21-17-11-12-18-16(14-17)10-6-13-22(18)20(24)15-8-4-3-5-9-15/h3-5,8-9,11-12,14H,2,6-7,10,13H2,1H3,(H,21,23).
What are the key properties of N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)butanamide?
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)butanamide has a molecular weight of 322.41 g/mol, XLogP of 4.02, 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)butanamide is sourced from PubChem (CID 939823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).