N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide

C18H24N2O4 — CID 110324991

IUPACN-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1cc2cc(OC)c(OC)cc2[nH]c1=O
InChIInChI=1S/C18H24N2O4/c1-5-11(6-2)17(21)19-10-13-7-12-8-15(23-3)16(24-4)9-14(12)20-18(13)22/h7-9,11H,5-6,10H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyPUKLXOVYTQOIBV-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.60
Rot. Bonds7

About N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide

N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide (PubChem CID 110324991) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide
PubChem CID110324991
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC NameN-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1cc2cc(OC)c(OC)cc2[nH]c1=O
InChIInChI=1S/C18H24N2O4/c1-5-11(6-2)17(21)19-10-13-7-12-8-15(23-3)16(24-4)9-14(12)20-18(13)22/h7-9,11H,5-6,10H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyPUKLXOVYTQOIBV-UHFFFAOYSA-N
XLogP2.60
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 110324984
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110324982
3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea
CID 110325039
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 110324860
3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(2-methylpropyl)propanamide
CID 110298935
3-(anilinomethyl)-6,7-dimethoxy-1H-quinolin-2-one
CID 75527524
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide
CID 110325145
3-(ethylaminomethyl)-6,7-dimethyl-1H-quinolin-2-one
CID 23009284
2-cyclopropyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110608956
3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methylbutyl)propanamide
CID 110298971
N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 110326114
methyl 4-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]-4-oxobutanoate
CID 110662689

Frequently Asked Questions

What is the IUPAC name of N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide?
The IUPAC name of N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide (CID 110324991) is N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide.
What is the SMILES notation for N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide?
The canonical SMILES for N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide is CCC(CC)C(=O)NCc1cc2cc(OC)c(OC)cc2[nH]c1=O.
What is the InChIKey of N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide?
The InChIKey is PUKLXOVYTQOIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-5-11(6-2)17(21)19-10-13-7-12-8-15(23-3)16(24-4)9-14(12)20-18(13)22/h7-9,11H,5-6,10H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide?
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide has a molecular weight of 332.40 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide is sourced from PubChem (CID 110324991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).