N-(5,8-dimethoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-3-oxobutanamide

C16H18N2O5 — CID 15757685

IUPACN-(5,8-dimethoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-3-oxobutanamide
SMILESCOc1cc(NC(=O)CC(C)=O)c(OC)c2c(C)cc(=O)[nH]c12
InChIInChI=1S/C16H18N2O5/c1-8-5-12(20)18-15-11(22-3)7-10(16(23-4)14(8)15)17-13(21)6-9(2)19/h5,7H,6H2,1-4H3,(H,17,21)(H,18,20)
InChIKeyYOFOEBRFKDNGSJ-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.77
Rot. Bonds5

About N-(5,8-dimethoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-3-oxobutanamide

N-(5,8-dimethoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-3-oxobutanamide (PubChem CID 15757685) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is N-(5,8-dimethoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-3-oxobutanamide.

Molecular Properties

Compound NameN-(5,8-dimethoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-3-oxobutanamide
PubChem CID15757685
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC NameN-(5,8-dimethoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-3-oxobutanamide
SMILESCOc1cc(NC(=O)CC(C)=O)c(OC)c2c(C)cc(=O)[nH]c12
InChIInChI=1S/C16H18N2O5/c1-8-5-12(20)18-15-11(22-3)7-10(16(23-4)14(8)15)17-13(21)6-9(2)19/h5,7H,6H2,1-4H3,(H,17,21)(H,18,20)
InChIKeyYOFOEBRFKDNGSJ-UHFFFAOYSA-N
XLogP1.77
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(5,8-dimethoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-2-methylpropanamide
CID 144879713
N-[2-chloro-5-methoxy-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide
CID 23513212
N-(2,3-dimethoxyphenyl)-3-oxobutanamide
CID 53434807
N-(6-methoxy-2-oxobenzimidazol-5-yl)-3-oxobutanamide
CID 23046648
5-methoxy-4-methyl-2-(3-oxobutanoylamino)benzenesulfonic acid
CID 18365872
N-(4-methoxy-2-methylphenyl)-3-oxobutanamide
CID 20565334
(E)-N-(8-methoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-2-methyl-4-methylidenehex-2-enamide
CID 169247733
N-(4,5-dimethoxy-2-methylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7751153
6-amino-8-methoxy-4-methyl-1H-quinolin-2-one;ethane
CID 169247715
N-(4-iodo-2-methylphenyl)-3-oxobutanamide
CID 61250967
N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-oxopropanamide
CID 115175414
N-[4-(3-methoxy-4-methylanilino)phenyl]-3-oxobutanamide
CID 110179860

Frequently Asked Questions

What is the IUPAC name of N-(5,8-dimethoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-3-oxobutanamide?
The IUPAC name of N-(5,8-dimethoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-3-oxobutanamide (CID 15757685) is N-(5,8-dimethoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-3-oxobutanamide.
What is the SMILES notation for N-(5,8-dimethoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-3-oxobutanamide?
The canonical SMILES for N-(5,8-dimethoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-3-oxobutanamide is COc1cc(NC(=O)CC(C)=O)c(OC)c2c(C)cc(=O)[nH]c12.
What is the InChIKey of N-(5,8-dimethoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-3-oxobutanamide?
The InChIKey is YOFOEBRFKDNGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-8-5-12(20)18-15-11(22-3)7-10(16(23-4)14(8)15)17-13(21)6-9(2)19/h5,7H,6H2,1-4H3,(H,17,21)(H,18,20).
What are the key properties of N-(5,8-dimethoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-3-oxobutanamide?
N-(5,8-dimethoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-3-oxobutanamide has a molecular weight of 318.33 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,8-dimethoxy-4-methyl-2-oxo-1H-quinolin-6-yl)-3-oxobutanamide is sourced from PubChem (CID 15757685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).