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

C18H24N2O2 — CID 110390014

IUPAC3-(3-methyl-2-oxo-1H-quinolin-7-yl)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCc1ccc2cc(C)c(=O)[nH]c2c1
InChIInChI=1S/C18H24N2O2/c1-3-4-5-10-19-17(21)9-7-14-6-8-15-11-13(2)18(22)20-16(15)12-14/h6,8,11-12H,3-5,7,9-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyKELNNPRBZKOTGT-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.08
Rot. Bonds7

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

3-(3-methyl-2-oxo-1H-quinolin-7-yl)-N-pentylpropanamide (PubChem CID 110390014) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-(3-methyl-2-oxo-1H-quinolin-7-yl)-N-pentylpropanamide.

Molecular Properties

Compound Name3-(3-methyl-2-oxo-1H-quinolin-7-yl)-N-pentylpropanamide
PubChem CID110390014
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-(3-methyl-2-oxo-1H-quinolin-7-yl)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCc1ccc2cc(C)c(=O)[nH]c2c1
InChIInChI=1S/C18H24N2O2/c1-3-4-5-10-19-17(21)9-7-14-6-8-15-11-13(2)18(22)20-16(15)12-14/h6,8,11-12H,3-5,7,9-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyKELNNPRBZKOTGT-UHFFFAOYSA-N
XLogP3.08
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.08
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

N-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110389946
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
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
CID 110331188
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-methoxy-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
CID 110298877
N-(5-methyl-1,2-oxazol-3-yl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110390056
3-(3,4-dimethoxyphenyl)-N-hexylpropanamide
CID 19220639
3-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 110390084

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-oxo-1H-quinolin-7-yl)-N-pentylpropanamide?
The IUPAC name of 3-(3-methyl-2-oxo-1H-quinolin-7-yl)-N-pentylpropanamide (CID 110390014) is 3-(3-methyl-2-oxo-1H-quinolin-7-yl)-N-pentylpropanamide.
What is the SMILES notation for 3-(3-methyl-2-oxo-1H-quinolin-7-yl)-N-pentylpropanamide?
The canonical SMILES for 3-(3-methyl-2-oxo-1H-quinolin-7-yl)-N-pentylpropanamide is CCCCCNC(=O)CCc1ccc2cc(C)c(=O)[nH]c2c1.
What is the InChIKey of 3-(3-methyl-2-oxo-1H-quinolin-7-yl)-N-pentylpropanamide?
The InChIKey is KELNNPRBZKOTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-3-4-5-10-19-17(21)9-7-14-6-8-15-11-13(2)18(22)20-16(15)12-14/h6,8,11-12H,3-5,7,9-10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 3-(3-methyl-2-oxo-1H-quinolin-7-yl)-N-pentylpropanamide?
3-(3-methyl-2-oxo-1H-quinolin-7-yl)-N-pentylpropanamide has a molecular weight of 300.40 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-oxo-1H-quinolin-7-yl)-N-pentylpropanamide is sourced from PubChem (CID 110390014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).