N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide

C16H20N2O2 — CID 3245532

IUPACN-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O
InChIInChI=1S/C16H20N2O2/c1-4-15(19)17-6-5-12-9-13-7-10(2)11(3)8-14(13)18-16(12)20/h7-9H,4-6H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyWHYRMPKHBMWNJQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.21
Rot. Bonds4

About N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide

N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide (PubChem CID 3245532) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
PubChem CID3245532
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O
InChIInChI=1S/C16H20N2O2/c1-4-15(19)17-6-5-12-9-13-7-10(2)11(3)8-14(13)18-16(12)20/h7-9H,4-6H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyWHYRMPKHBMWNJQ-UHFFFAOYSA-N
XLogP2.21
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide?
The IUPAC name of N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide (CID 3245532) is N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide is CCC(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O.
What is the InChIKey of N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide?
The InChIKey is WHYRMPKHBMWNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-15(19)17-6-5-12-9-13-7-10(2)11(3)8-14(13)18-16(12)20/h7-9H,4-6H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide?
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide has a molecular weight of 272.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide is sourced from PubChem (CID 3245532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).