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

C22H26N2O2 — CID 109048720

IUPAC4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(C(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C22H26N2O2/c1-2-3-6-15-23-21(25)18-11-13-19(14-12-18)22(26)24-16-7-9-17-8-4-5-10-20(17)24/h4-5,8,10-14H,2-3,6-7,9,15-16H2,1H3,(H,23,25)
InChIKeyHABGYSVHBSRLHT-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.20
Rot. Bonds6

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

4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide (PubChem CID 109048720) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide
PubChem CID109048720
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(C(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C22H26N2O2/c1-2-3-6-15-23-21(25)18-11-13-19(14-12-18)22(26)24-16-7-9-17-8-4-5-10-20(17)24/h4-5,8,10-14H,2-3,6-7,9,15-16H2,1H3,(H,23,25)
InChIKeyHABGYSVHBSRLHT-UHFFFAOYSA-N
XLogP4.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.20
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

N-butyl-4-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide
CID 109043735
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
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
N-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108957855
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide?
The IUPAC name of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide (CID 109048720) is 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide?
The canonical SMILES for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide is CCCCCNC(=O)c1ccc(C(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide?
The InChIKey is HABGYSVHBSRLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-2-3-6-15-23-21(25)18-11-13-19(14-12-18)22(26)24-16-7-9-17-8-4-5-10-20(17)24/h4-5,8,10-14H,2-3,6-7,9,15-16H2,1H3,(H,23,25).
What are the key properties of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide?
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide has a molecular weight of 350.46 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide is sourced from PubChem (CID 109048720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).