N-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide

C17H22N2O2 — CID 110389946

IUPACN-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
SMILESCCCCNC(=O)CCc1ccc2cc(C)c(=O)[nH]c2c1
InChIInChI=1S/C17H22N2O2/c1-3-4-9-18-16(20)8-6-13-5-7-14-10-12(2)17(21)19-15(14)11-13/h5,7,10-11H,3-4,6,8-9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyMQDJGYQIXRESOE-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.69
Rot. Bonds6

About N-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide

N-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide (PubChem CID 110389946) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide.

Molecular Properties

Compound NameN-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
PubChem CID110389946
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
SMILESCCCCNC(=O)CCc1ccc2cc(C)c(=O)[nH]c2c1
InChIInChI=1S/C17H22N2O2/c1-3-4-9-18-16(20)8-6-13-5-7-14-10-12(2)17(21)19-15(14)11-13/h5,7,10-11H,3-4,6,8-9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyMQDJGYQIXRESOE-UHFFFAOYSA-N
XLogP2.69
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methyl-2-oxo-1H-quinolin-7-yl)-N-pentylpropanamide
CID 110390014
N-[2-(4-fluorophenyl)ethyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110389986
N-(3-methylbutyl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110390013
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110389997
N-tert-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110390011
3-(3-methyl-2-oxo-1H-quinolin-7-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110389980
N-(4-chlorophenyl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110390035
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
CID 110331188
N-(5-methyl-1,2-oxazol-3-yl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110390056
3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
CID 110298877
3-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 110390084
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-propylpropanamide
CID 110406226

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide?
The IUPAC name of N-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide (CID 110389946) is N-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide.
What is the SMILES notation for N-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide?
The canonical SMILES for N-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide is CCCCNC(=O)CCc1ccc2cc(C)c(=O)[nH]c2c1.
What is the InChIKey of N-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide?
The InChIKey is MQDJGYQIXRESOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-4-9-18-16(20)8-6-13-5-7-14-10-12(2)17(21)19-15(14)11-13/h5,7,10-11H,3-4,6,8-9H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide?
N-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide has a molecular weight of 286.38 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide is sourced from PubChem (CID 110389946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).