N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide

C18H24N2O2 — CID 110325145

IUPACN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1cc2ccc(C)c(C)c2[nH]c1=O
InChIInChI=1S/C18H24N2O2/c1-5-13(6-2)17(21)19-10-15-9-14-8-7-11(3)12(4)16(14)20-18(15)22/h7-9,13H,5-6,10H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyYNDIJRGHPIPSSK-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.20
Rot. Bonds5

About N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide

N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide (PubChem CID 110325145) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide
PubChem CID110325145
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1cc2ccc(C)c(C)c2[nH]c1=O
InChIInChI=1S/C18H24N2O2/c1-5-13(6-2)17(21)19-10-15-9-14-8-7-11(3)12(4)16(14)20-18(15)22/h7-9,13H,5-6,10H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyYNDIJRGHPIPSSK-UHFFFAOYSA-N
XLogP3.20
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide?
The IUPAC name of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide (CID 110325145) is N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide.
What is the SMILES notation for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide?
The canonical SMILES for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide is CCC(CC)C(=O)NCc1cc2ccc(C)c(C)c2[nH]c1=O.
What is the InChIKey of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide?
The InChIKey is YNDIJRGHPIPSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-5-13(6-2)17(21)19-10-15-9-14-8-7-11(3)12(4)16(14)20-18(15)22/h7-9,13H,5-6,10H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide?
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide has a molecular weight of 300.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide is sourced from PubChem (CID 110325145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).