N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide

C18H26N2O2 — CID 16926947

IUPACN-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide
SMILESCCCCC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC
InChIInChI=1S/C18H26N2O2/c1-3-5-7-17(21)19-15-9-10-16-14(13-15)8-11-18(22)20(16)12-6-4-2/h9-10,13H,3-8,11-12H2,1-2H3,(H,19,21)
InChIKeyKMMPUXUKLFDGBY-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.89
Rot. Bonds7

About N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide

N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide (PubChem CID 16926947) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide.

Molecular Properties

Compound NameN-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide
PubChem CID16926947
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide
SMILESCCCCC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC
InChIInChI=1S/C18H26N2O2/c1-3-5-7-17(21)19-15-9-10-16-14(13-15)8-11-18(22)20(16)12-6-4-2/h9-10,13H,3-8,11-12H2,1-2H3,(H,19,21)
InChIKeyKMMPUXUKLFDGBY-UHFFFAOYSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide
CID 16926840
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,2-dimethylpropanamide
CID 16926976
1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-chlorophenyl)urea
CID 30376690
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,6-difluorobenzamide
CID 16926960
3,3-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)butanamide
CID 16926796
2,2-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
CID 16926756
3-[methyl-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)carbamoyl]amino]propanoic acid
CID 122088702
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,4-dimethoxybenzamide
CID 16927030
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylpropanamide
CID 20933537
N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141
1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2,4-dimethoxyphenyl)urea
CID 30376842
3,5-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzamide
CID 16926766

Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide?
The IUPAC name of N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide (CID 16926947) is N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide.
What is the SMILES notation for N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide?
The canonical SMILES for N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide is CCCCC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC.
What is the InChIKey of N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide?
The InChIKey is KMMPUXUKLFDGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-5-7-17(21)19-15-9-10-16-14(13-15)8-11-18(22)20(16)12-6-4-2/h9-10,13H,3-8,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide?
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide has a molecular weight of 302.42 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide is sourced from PubChem (CID 16926947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).