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

C22H26N2O2 — CID 109048626

IUPAC4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccc(C(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C22H26N2O2/c1-16(2)13-14-23-21(25)18-9-11-19(12-10-18)22(26)24-15-5-7-17-6-3-4-8-20(17)24/h3-4,6,8-12,16H,5,7,13-15H2,1-2H3,(H,23,25)
InChIKeyZACABWXSWORRNW-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.06
Rot. Bonds5

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

4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methylbutyl)benzamide (PubChem CID 109048626) 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-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methylbutyl)benzamide
PubChem CID109048626
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccc(C(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C22H26N2O2/c1-16(2)13-14-23-21(25)18-9-11-19(12-10-18)22(26)24-15-5-7-17-6-3-4-8-20(17)24/h3-4,6,8-12,16H,5,7,13-15H2,1-2H3,(H,23,25)
InChIKeyZACABWXSWORRNW-UHFFFAOYSA-N
XLogP4.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-4-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide
CID 109043735
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide
CID 109048720
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)benzamide
CID 109048489
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(3-methylphenyl)methyl]benzamide
CID 109046889
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-methoxyethyl)benzamide
CID 109052567
4-(2,3-dihydroindole-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047845
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide
CID 109056273
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 18134740
(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
[4-(chloromethyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 43333292
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109103635

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methylbutyl)benzamide?
The IUPAC name of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methylbutyl)benzamide (CID 109048626) is 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methylbutyl)benzamide?
The canonical SMILES for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methylbutyl)benzamide is CC(C)CCNC(=O)c1ccc(C(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methylbutyl)benzamide?
The InChIKey is ZACABWXSWORRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16(2)13-14-23-21(25)18-9-11-19(12-10-18)22(26)24-15-5-7-17-6-3-4-8-20(17)24/h3-4,6,8-12,16H,5,7,13-15H2,1-2H3,(H,23,25).
What are the key properties of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methylbutyl)benzamide?
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methylbutyl)benzamide has a molecular weight of 350.46 g/mol, XLogP of 4.06, 5 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-(3-methylbutyl)benzamide is sourced from PubChem (CID 109048626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).