N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzamide

C20H22N2O2 — CID 7586167

IUPACN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzamide
SMILESCC(=O)N1CCCc2ccc(NC(=O)c3cc(C)cc(C)c3)cc21
InChIInChI=1S/C20H22N2O2/c1-13-9-14(2)11-17(10-13)20(24)21-18-7-6-16-5-4-8-22(15(3)23)19(16)12-18/h6-7,9-12H,4-5,8H2,1-3H3,(H,21,24)
InChIKeyJVHWVUSDBOGPFA-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.85
Rot. Bonds2

About N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzamide

N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzamide (PubChem CID 7586167) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzamide
PubChem CID7586167
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzamide
SMILESCC(=O)N1CCCc2ccc(NC(=O)c3cc(C)cc(C)c3)cc21
InChIInChI=1S/C20H22N2O2/c1-13-9-14(2)11-17(10-13)20(24)21-18-7-6-16-5-4-8-22(15(3)23)19(16)12-18/h6-7,9-12H,4-5,8H2,1-3H3,(H,21,24)
InChIKeyJVHWVUSDBOGPFA-UHFFFAOYSA-N
XLogP3.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzamide
CID 7527164
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzamide
CID 7586153
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-chlorobenzamide
CID 7527150
(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)thiourea
CID 169358597
3,5-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 27636882
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3,5-dimethoxybenzamide
CID 7656241
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N'-(2-methylphenyl)oxamide
CID 7586388
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-(hydroxymethyl)benzamide
CID 155952648
N-(1-acetyl-2,3-dihydroindol-6-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 110627246
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-amino-1-methylpyrazole-4-carboxamide
CID 166289148
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(3-fluorophenyl)oxamide
CID 7586378
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-cyclohexyloxamide
CID 7586298

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzamide?
The IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzamide (CID 7586167) is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzamide.
What is the SMILES notation for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzamide?
The canonical SMILES for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzamide is CC(=O)N1CCCc2ccc(NC(=O)c3cc(C)cc(C)c3)cc21.
What is the InChIKey of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzamide?
The InChIKey is JVHWVUSDBOGPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13-9-14(2)11-17(10-13)20(24)21-18-7-6-16-5-4-8-22(15(3)23)19(16)12-18/h6-7,9-12H,4-5,8H2,1-3H3,(H,21,24).
What are the key properties of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzamide?
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzamide has a molecular weight of 322.41 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzamide is sourced from PubChem (CID 7586167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).