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

C18H24N2O3 — CID 110298877

IUPAC3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCc1cc2ccc(OC)cc2[nH]c1=O
InChIInChI=1S/C18H24N2O3/c1-3-4-5-10-19-17(21)9-7-14-11-13-6-8-15(23-2)12-16(13)20-18(14)22/h6,8,11-12H,3-5,7,9-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyCNFLDMJLZCDIQR-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.78
Rot. Bonds8

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

3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide (PubChem CID 110298877) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide.

Molecular Properties

Compound Name3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
PubChem CID110298877
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCc1cc2ccc(OC)cc2[nH]c1=O
InChIInChI=1S/C18H24N2O3/c1-3-4-5-10-19-17(21)9-7-14-11-13-6-8-15(23-2)12-16(13)20-18(14)22/h6,8,11-12H,3-5,7,9-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyCNFLDMJLZCDIQR-UHFFFAOYSA-N
XLogP2.78
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
CID 110331188
2-chloro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 7136774
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 4258688
N-[2-(4-methoxyphenyl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331176
N-butyl-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide
CID 110298878
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-propylpentanamide
CID 4079737
N-(4-chlorophenyl)-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110298893
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-propylpropanamide
CID 110406226
3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-yloxyethyl)propanamide
CID 110418808
ethyl 4-[3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate
CID 110298870
3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-N-(1-phenylethyl)propanamide
CID 110298844
3-(3-methyl-2-oxo-1H-quinolin-7-yl)-N-pentylpropanamide
CID 110390014

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide?
The IUPAC name of 3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide (CID 110298877) is 3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide.
What is the SMILES notation for 3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide?
The canonical SMILES for 3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide is CCCCCNC(=O)CCc1cc2ccc(OC)cc2[nH]c1=O.
What is the InChIKey of 3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide?
The InChIKey is CNFLDMJLZCDIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-3-4-5-10-19-17(21)9-7-14-11-13-6-8-15(23-2)12-16(13)20-18(14)22/h6,8,11-12H,3-5,7,9-10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide?
3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide has a molecular weight of 316.40 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide is sourced from PubChem (CID 110298877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).