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

C16H20N2O4 — CID 110324984

IUPACN-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
SMILESCOc1cc2cc(CNC(=O)C(C)C)c(=O)[nH]c2cc1OC
InChIInChI=1S/C16H20N2O4/c1-9(2)15(19)17-8-11-5-10-6-13(21-3)14(22-4)7-12(10)18-16(11)20/h5-7,9H,8H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyCBUSIWPJLHPSRX-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.82
Rot. Bonds5

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

N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide (PubChem CID 110324984) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
PubChem CID110324984
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
SMILESCOc1cc2cc(CNC(=O)C(C)C)c(=O)[nH]c2cc1OC
InChIInChI=1S/C16H20N2O4/c1-9(2)15(19)17-8-11-5-10-6-13(21-3)14(22-4)7-12(10)18-16(11)20/h5-7,9H,8H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyCBUSIWPJLHPSRX-UHFFFAOYSA-N
XLogP1.82
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.82
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-ethylbutanamide
CID 110324991
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-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methylbutyl)propanamide
CID 110298971
3-(anilinomethyl)-6,7-dimethoxy-1H-quinolin-2-one
CID 75527524
2-cyclopropyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110608956
3-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(2-methoxyphenyl)methyl]urea
CID 1437384
N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 110326114
3-ethyl-7-methoxy-6-propan-2-yl-1H-quinolin-2-one
CID 154974543
6,7-dimethoxy-3-propan-2-yl-1H-quinolin-2-one
CID 154591387

Frequently Asked Questions

What is the IUPAC name of N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide (CID 110324984) is N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide is COc1cc2cc(CNC(=O)C(C)C)c(=O)[nH]c2cc1OC.
What is the InChIKey of N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide?
The InChIKey is CBUSIWPJLHPSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-9(2)15(19)17-8-11-5-10-6-13(21-3)14(22-4)7-12(10)18-16(11)20/h5-7,9H,8H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide?
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide has a molecular weight of 304.35 g/mol, XLogP of 1.82, 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]-2-methylpropanamide is sourced from PubChem (CID 110324984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).