6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one

C14H17NO3 — CID 167049049

IUPAC6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one
SMILESCOc1cc2[nH]c(=O)cc(C(C)C)c2cc1OC
InChIInChI=1S/C14H17NO3/c1-8(2)9-6-14(16)15-11-7-13(18-4)12(17-3)5-10(9)11/h5-8H,1-4H3,(H,15,16)
InChIKeySXNXOZLYXVJJNW-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.67
Rot. Bonds3

About 6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one

6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one (PubChem CID 167049049) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one
PubChem CID167049049
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one
SMILESCOc1cc2[nH]c(=O)cc(C(C)C)c2cc1OC
InChIInChI=1S/C14H17NO3/c1-8(2)9-6-14(16)15-11-7-13(18-4)12(17-3)5-10(9)11/h5-8H,1-4H3,(H,15,16)
InChIKeySXNXOZLYXVJJNW-UHFFFAOYSA-N
XLogP2.67
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dimethoxy-3-propan-2-yl-1H-quinolin-2-one
CID 154591387
6,7-dimethoxy-1H-quinazoline-2,4-dione;hydrochloride
CID 139789848
2-oxo-4-propan-2-yl-1H-quinoline-7-carboxylic acid
CID 134357859
6,7-dimethoxy-4-sulfanylidene-1H-quinazolin-2-one
CID 15430356
6,7-dimethoxy-2-methyl-1H-quinolin-4-one;hydrochloride
CID 91665124
4-[(6,7-dimethoxy-2-oxo-1H-quinolin-4-yl)oxy]benzamide
CID 118310234
3-fluoro-6,7-dimethoxy-4-methyl-1H-quinolin-2-one
CID 141228564
6,7-dimethoxy-3-propyl-1H-quinazoline-2,4-dione
CID 94075074
6,7-dimethoxy-2-methyl-4H-pyrrolo[3,4-b]quinoline-1,3,9-trione
CID 15364945
8,9-dimethoxy-4H-benzo[f]quinolin-3-one
CID 160947802
7-methoxy-3-propan-2-yl-6-(trifluoromethoxy)-1H-quinolin-2-one
CID 154974776
2,3,5,6,8,9-hexamethoxy-11,12-dihydroindolo[2,3-a]carbazole
CID 171935893

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one?
The IUPAC name of 6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one (CID 167049049) is 6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one.
What is the SMILES notation for 6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one?
The canonical SMILES for 6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one is COc1cc2[nH]c(=O)cc(C(C)C)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one?
The InChIKey is SXNXOZLYXVJJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-8(2)9-6-14(16)15-11-7-13(18-4)12(17-3)5-10(9)11/h5-8H,1-4H3,(H,15,16).
What are the key properties of 6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one?
6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one has a molecular weight of 247.29 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one is sourced from PubChem (CID 167049049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).