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

C18H24N2O2 — CID 110331188

IUPAC3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCc1cc2ccc(C)cc2[nH]c1=O
InChIInChI=1S/C18H24N2O2/c1-3-4-5-10-19-17(21)9-8-15-12-14-7-6-13(2)11-16(14)20-18(15)22/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyWRDNYXLAGNYBTO-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.08
Rot. Bonds7

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

3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide (PubChem CID 110331188) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide.

Molecular Properties

Compound Name3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
PubChem CID110331188
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCc1cc2ccc(C)cc2[nH]c1=O
InChIInChI=1S/C18H24N2O2/c1-3-4-5-10-19-17(21)9-8-15-12-14-7-6-13(2)11-16(14)20-18(15)22/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyWRDNYXLAGNYBTO-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-[3-(diethylamino)propyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174850
3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
CID 110298877
N-[2-(4-methoxyphenyl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331176
3-(3-methyl-2-oxo-1H-quinolin-7-yl)-N-pentylpropanamide
CID 110390014
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-propylpropanamide
CID 110406226
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110632676
N-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110389946
N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174888
N-[2-(dimethylamino)-2-phenylethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110620872
4-(4-methoxyphenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-oxobutanamide
CID 110415264
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 53174855
ethyl 4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
CID 110426633

Frequently Asked Questions

What is the IUPAC name of 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide?
The IUPAC name of 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide (CID 110331188) is 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide.
What is the SMILES notation for 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide?
The canonical SMILES for 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide is CCCCCNC(=O)CCc1cc2ccc(C)cc2[nH]c1=O.
What is the InChIKey of 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide?
The InChIKey is WRDNYXLAGNYBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-3-4-5-10-19-17(21)9-8-15-12-14-7-6-13(2)11-16(14)20-18(15)22/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide?
3-(7-methyl-2-oxo-1H-quinolin-3-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-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide is sourced from PubChem (CID 110331188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).