N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]butanamide

C16H20N2O2 — CID 78340951

IUPACN-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]butanamide
SMILESCCCC(=O)NCCC1C=c2ccc(C)cc2=NC1=O
InChIInChI=1S/C16H20N2O2/c1-3-4-15(19)17-8-7-13-10-12-6-5-11(2)9-14(12)18-16(13)20/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,17,19)
InChIKeyOEOHAJLYFFWFJR-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.86
Rot. Bonds5

About N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]butanamide

N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]butanamide (PubChem CID 78340951) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]butanamide
PubChem CID78340951
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]butanamide
SMILESCCCC(=O)NCCC1C=c2ccc(C)cc2=NC1=O
InChIInChI=1S/C16H20N2O2/c1-3-4-15(19)17-8-7-13-10-12-6-5-11(2)9-14(12)18-16(13)20/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,17,19)
InChIKeyOEOHAJLYFFWFJR-UHFFFAOYSA-N
XLogP0.86
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]butanamide?
The IUPAC name of N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]butanamide (CID 78340951) is N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]butanamide?
The canonical SMILES for N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]butanamide is CCCC(=O)NCCC1C=c2ccc(C)cc2=NC1=O.
What is the InChIKey of N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]butanamide?
The InChIKey is OEOHAJLYFFWFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-4-15(19)17-8-7-13-10-12-6-5-11(2)9-14(12)18-16(13)20/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]butanamide?
N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]butanamide has a molecular weight of 272.35 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methyl-2-oxo-3H-quinolin-3-yl)ethyl]butanamide is sourced from PubChem (CID 78340951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).