N-butyl-4-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide

C21H24N2O2 — CID 109043735

IUPACN-butyl-4-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide
SMILESCCCCNC(=O)c1ccc(C(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C21H24N2O2/c1-2-3-14-22-20(24)17-10-12-18(13-11-17)21(25)23-15-6-8-16-7-4-5-9-19(16)23/h4-5,7,9-13H,2-3,6,8,14-15H2,1H3,(H,22,24)
InChIKeyWSUFSPINJJSZAC-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.81
Rot. Bonds5

About N-butyl-4-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide

N-butyl-4-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide (PubChem CID 109043735) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-butyl-4-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-butyl-4-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide
PubChem CID109043735
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-butyl-4-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide
SMILESCCCCNC(=O)c1ccc(C(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C21H24N2O2/c1-2-3-14-22-20(24)17-10-12-18(13-11-17)21(25)23-15-6-8-16-7-4-5-9-19(16)23/h4-5,7,9-13H,2-3,6,8,14-15H2,1H3,(H,22,24)
InChIKeyWSUFSPINJJSZAC-UHFFFAOYSA-N
XLogP3.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide
CID 109048720
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide
CID 109056273
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)benzamide
CID 109048489
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methylbutyl)benzamide
CID 109048626
N-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108957855
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(3-methylphenyl)methyl]benzamide
CID 109046889
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109103635
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-methoxyethyl)benzamide
CID 109052567
[4-(chloromethyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 43333292
4-(2,3-dihydroindole-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047845
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
1-butyl-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]guanidine
CID 111079017

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide?
The IUPAC name of N-butyl-4-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide (CID 109043735) is N-butyl-4-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide.
What is the SMILES notation for N-butyl-4-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide?
The canonical SMILES for N-butyl-4-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide is CCCCNC(=O)c1ccc(C(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of N-butyl-4-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide?
The InChIKey is WSUFSPINJJSZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-2-3-14-22-20(24)17-10-12-18(13-11-17)21(25)23-15-6-8-16-7-4-5-9-19(16)23/h4-5,7,9-13H,2-3,6,8,14-15H2,1H3,(H,22,24).
What are the key properties of N-butyl-4-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide?
N-butyl-4-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide has a molecular weight of 336.44 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide is sourced from PubChem (CID 109043735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).