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

C22H26N2O2 — CID 109056273

IUPAC3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cccc(C(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C22H26N2O2/c1-2-3-6-14-23-21(25)18-10-7-11-19(16-18)22(26)24-15-8-12-17-9-4-5-13-20(17)24/h4-5,7,9-11,13,16H,2-3,6,8,12,14-15H2,1H3,(H,23,25)
InChIKeyYOHYUVJPOLCDIM-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.20
Rot. Bonds6

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

3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide (PubChem CID 109056273) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide
PubChem CID109056273
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cccc(C(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C22H26N2O2/c1-2-3-6-14-23-21(25)18-10-7-11-19(16-18)22(26)24-15-8-12-17-9-4-5-13-20(17)24/h4-5,7,9-11,13,16H,2-3,6,8,12,14-15H2,1H3,(H,23,25)
InChIKeyYOHYUVJPOLCDIM-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

4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide
CID 109048720
N-butyl-4-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide
CID 109043735
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-methoxyethyl)benzamide
CID 109052567
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-pentylbenzamide
CID 109055330
N-tert-butyl-3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide
CID 109055995
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109103635
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)benzamide
CID 109048489
N-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]propanamide
CID 17309643
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methylbutyl)benzamide
CID 109048626
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)benzamide
CID 109057134
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-ethylbenzenesulfonamide
CID 51160598

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide (CID 109056273) is 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide is CCCCCNC(=O)c1cccc(C(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide?
The InChIKey is YOHYUVJPOLCDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-2-3-6-14-23-21(25)18-10-7-11-19(16-18)22(26)24-15-8-12-17-9-4-5-13-20(17)24/h4-5,7,9-11,13,16H,2-3,6,8,12,14-15H2,1H3,(H,23,25).
What are the key properties of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide?
3-(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 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide is sourced from PubChem (CID 109056273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).