6,8-dimethoxy-4-methyl-1H-quinolin-2-one

C12H13NO3 — CID 42618030

IUPAC6,8-dimethoxy-4-methyl-1H-quinolin-2-one
SMILESCOc1cc(OC)c2[nH]c(=O)cc(C)c2c1
InChIInChI=1S/C12H13NO3/c1-7-4-11(14)13-12-9(7)5-8(15-2)6-10(12)16-3/h4-6H,1-3H3,(H,13,14)
InChIKeyTZVDVDRNKWYRNO-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.85
Rot. Bonds2

About 6,8-dimethoxy-4-methyl-1H-quinolin-2-one

6,8-dimethoxy-4-methyl-1H-quinolin-2-one (PubChem CID 42618030) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 6,8-dimethoxy-4-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6,8-dimethoxy-4-methyl-1H-quinolin-2-one
PubChem CID42618030
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name6,8-dimethoxy-4-methyl-1H-quinolin-2-one
SMILESCOc1cc(OC)c2[nH]c(=O)cc(C)c2c1
InChIInChI=1S/C12H13NO3/c1-7-4-11(14)13-12-9(7)5-8(15-2)6-10(12)16-3/h4-6H,1-3H3,(H,13,14)
InChIKeyTZVDVDRNKWYRNO-UHFFFAOYSA-N
XLogP1.85
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxy-4-methyl-1H-quinolin-2-one?
The IUPAC name of 6,8-dimethoxy-4-methyl-1H-quinolin-2-one (CID 42618030) is 6,8-dimethoxy-4-methyl-1H-quinolin-2-one.
What is the SMILES notation for 6,8-dimethoxy-4-methyl-1H-quinolin-2-one?
The canonical SMILES for 6,8-dimethoxy-4-methyl-1H-quinolin-2-one is COc1cc(OC)c2[nH]c(=O)cc(C)c2c1.
What is the InChIKey of 6,8-dimethoxy-4-methyl-1H-quinolin-2-one?
The InChIKey is TZVDVDRNKWYRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-7-4-11(14)13-12-9(7)5-8(15-2)6-10(12)16-3/h4-6H,1-3H3,(H,13,14).
What are the key properties of 6,8-dimethoxy-4-methyl-1H-quinolin-2-one?
6,8-dimethoxy-4-methyl-1H-quinolin-2-one has a molecular weight of 219.24 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethoxy-4-methyl-1H-quinolin-2-one is sourced from PubChem (CID 42618030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).