7,8-dimethoxy-4-methyl-1H-quinolin-2-one

C12H13NO3 — CID 42618028

IUPAC7,8-dimethoxy-4-methyl-1H-quinolin-2-one
SMILESCOc1ccc2c(C)cc(=O)[nH]c2c1OC
InChIInChI=1S/C12H13NO3/c1-7-6-10(14)13-11-8(7)4-5-9(15-2)12(11)16-3/h4-6H,1-3H3,(H,13,14)
InChIKeyVRKCWQSMWSQKFK-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.85
Rot. Bonds2

About 7,8-dimethoxy-4-methyl-1H-quinolin-2-one

7,8-dimethoxy-4-methyl-1H-quinolin-2-one (PubChem CID 42618028) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 7,8-dimethoxy-4-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name7,8-dimethoxy-4-methyl-1H-quinolin-2-one
PubChem CID42618028
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name7,8-dimethoxy-4-methyl-1H-quinolin-2-one
SMILESCOc1ccc2c(C)cc(=O)[nH]c2c1OC
InChIInChI=1S/C12H13NO3/c1-7-6-10(14)13-11-8(7)4-5-9(15-2)12(11)16-3/h4-6H,1-3H3,(H,13,14)
InChIKeyVRKCWQSMWSQKFK-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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Related Compounds

6-Methoxy-9-methyl-(1,3)dioxolo(4,5-h)quinolin-8(9H)-one
CID 124075
5,8-Dimethoxy-1,4-dimethylquinolin-2(1H)-one
CID 1504717
8-Methoxy-4-methylquinolin-2(1H)-one
CID 782123
5,6,8-Trimethoxy-4-methylquinolin-2(1H)-one
CID 15306616
6,7,8-Trimethoxy-1,4-dimethylquinolin-2(1H)-one
CID 42618033
8-butoxy-7-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 9817492
N-[2-(4-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
CID 9888694
7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3-carboxylic Acid Phenethylamide
CID 11718456
7-methoxy-2-oxo-N-(2-phenylethyl)-8-propoxy-1H-quinoline-3-carboxamide
CID 23555584
8-butoxy-7-methoxy-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 23555586
N-[2-(2-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
CID 23555590
N-[2-(4-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-propoxy-1H-quinoline-3-carboxamide
CID 23555598

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-4-methyl-1H-quinolin-2-one?
The IUPAC name of 7,8-dimethoxy-4-methyl-1H-quinolin-2-one (CID 42618028) is 7,8-dimethoxy-4-methyl-1H-quinolin-2-one.
What is the SMILES notation for 7,8-dimethoxy-4-methyl-1H-quinolin-2-one?
The canonical SMILES for 7,8-dimethoxy-4-methyl-1H-quinolin-2-one is COc1ccc2c(C)cc(=O)[nH]c2c1OC.
What is the InChIKey of 7,8-dimethoxy-4-methyl-1H-quinolin-2-one?
The InChIKey is VRKCWQSMWSQKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-7-6-10(14)13-11-8(7)4-5-9(15-2)12(11)16-3/h4-6H,1-3H3,(H,13,14).
What are the key properties of 7,8-dimethoxy-4-methyl-1H-quinolin-2-one?
7,8-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 7,8-dimethoxy-4-methyl-1H-quinolin-2-one is sourced from PubChem (CID 42618028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).