N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide

C20H22N2O2 — CID 7656757

IUPACN-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
SMILESCC(C)C(=O)N1CCCc2cc(NC(=O)c3ccccc3)ccc21
InChIInChI=1S/C20H22N2O2/c1-14(2)20(24)22-12-6-9-16-13-17(10-11-18(16)22)21-19(23)15-7-4-3-5-8-15/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3,(H,21,23)
InChIKeyYWXWJLCYUJLCSR-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.87
Rot. Bonds3

About N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide

N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide (PubChem CID 7656757) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide.

Molecular Properties

Compound NameN-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
PubChem CID7656757
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
SMILESCC(C)C(=O)N1CCCc2cc(NC(=O)c3ccccc3)ccc21
InChIInChI=1S/C20H22N2O2/c1-14(2)20(24)22-12-6-9-16-13-17(10-11-18(16)22)21-19(23)15-7-4-3-5-8-15/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3,(H,21,23)
InChIKeyYWXWJLCYUJLCSR-UHFFFAOYSA-N
XLogP3.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dichloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7498736
phenyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate
CID 7656784
3-bromo-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide
CID 110358428
1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-3-phenylurea
CID 110358442
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 121084310
5-benzamido-2,3-dihydroindole-1-carboxylic acid
CID 23147979
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]cyclopentanecarboxamide
CID 7656708
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]cyclohexanecarboxamide
CID 18584143
2-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7656750
1-(4-methoxyphenyl)-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]urea
CID 30373580
3,4-difluoro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517474
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide
CID 27557623

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide?
The IUPAC name of N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide (CID 7656757) is N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide.
What is the SMILES notation for N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide?
The canonical SMILES for N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide is CC(C)C(=O)N1CCCc2cc(NC(=O)c3ccccc3)ccc21.
What is the InChIKey of N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide?
The InChIKey is YWXWJLCYUJLCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14(2)20(24)22-12-6-9-16-13-17(10-11-18(16)22)21-19(23)15-7-4-3-5-8-15/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide?
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide has a molecular weight of 322.41 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide is sourced from PubChem (CID 7656757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).