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

C15H18N2O4 — CID 110324982

IUPACN-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide
SMILESCCC(=O)NCc1cc2cc(OC)c(OC)cc2[nH]c1=O
InChIInChI=1S/C15H18N2O4/c1-4-14(18)16-8-10-5-9-6-12(20-2)13(21-3)7-11(9)17-15(10)19/h5-7H,4,8H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyYISPGHWJXOSVFK-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.57
Rot. Bonds5

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

N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide (PubChem CID 110324982) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide
PubChem CID110324982
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide
SMILESCCC(=O)NCc1cc2cc(OC)c(OC)cc2[nH]c1=O
InChIInChI=1S/C15H18N2O4/c1-4-14(18)16-8-10-5-9-6-12(20-2)13(21-3)7-11(9)17-15(10)19/h5-7H,4,8H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyYISPGHWJXOSVFK-UHFFFAOYSA-N
XLogP1.57
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.57
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]-2-ethylbutanamide
CID 110324991
3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea
CID 110325039
methyl 4-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]-4-oxobutanoate
CID 110662689
3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(2-methylpropyl)propanamide
CID 110298935
2-(3,4-dimethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324558
3-(anilinomethyl)-6,7-dimethoxy-1H-quinolin-2-one
CID 75527524
3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methylbutyl)propanamide
CID 110298971
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide
CID 139395079
3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(4,4-dimethylpentyl)propanamide
CID 110617828
N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 110326114
3-(ethylaminomethyl)-6,7-dimethyl-1H-quinolin-2-one
CID 23009284

Frequently Asked Questions

What is the IUPAC name of N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The IUPAC name of N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide (CID 110324982) is N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide.
What is the SMILES notation for N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The canonical SMILES for N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide is CCC(=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]propanamide?
The InChIKey is YISPGHWJXOSVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-4-14(18)16-8-10-5-9-6-12(20-2)13(21-3)7-11(9)17-15(10)19/h5-7H,4,8H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide has a molecular weight of 290.32 g/mol, XLogP of 1.57, 5 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]propanamide is sourced from PubChem (CID 110324982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).