2-acetyl-7-methoxy-1H-quinolin-4-one

C12H11NO3 — CID 59108287

IUPAC2-acetyl-7-methoxy-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)cc(C(C)=O)[nH]c2c1
InChIInChI=1S/C12H11NO3/c1-7(14)10-6-12(15)9-4-3-8(16-2)5-11(9)13-10/h3-6H,1-2H3,(H,13,15)
InChIKeyLAUSKJXKWVQANK-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.74
Rot. Bonds2

About 2-acetyl-7-methoxy-1H-quinolin-4-one

2-acetyl-7-methoxy-1H-quinolin-4-one (PubChem CID 59108287) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-acetyl-7-methoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name2-acetyl-7-methoxy-1H-quinolin-4-one
PubChem CID59108287
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name2-acetyl-7-methoxy-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)cc(C(C)=O)[nH]c2c1
InChIInChI=1S/C12H11NO3/c1-7(14)10-6-12(15)9-4-3-8(16-2)5-11(9)13-10/h3-6H,1-2H3,(H,13,15)
InChIKeyLAUSKJXKWVQANK-UHFFFAOYSA-N
XLogP1.74
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(Z)-1-(7-methoxy-4-oxo-1H-quinolin-2-yl)prop-1-enyl]-N'-propan-2-ylethanimidamide
CID 143056148
acetylene;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-7-methoxy-1H-quinolin-4-one
CID 142895022
ethyl 2-(7-methoxy-4-oxo-1H-quinolin-2-yl)acetate
CID 13064085
2-[(Z)-1-amino-2-[1-(propan-2-ylamino)ethenylsulfanyl]ethenyl]-7-methoxy-1H-quinolin-4-one
CID 70305039
7-methoxy-1H-quinazoline-2,4-dione
CID 19604241
4-hydroxy-3,7-dimethoxy-1H-quinolin-2-one
CID 139718554
7-methoxy-2-(5-methyl-2H-1,3,4-oxadiazol-5-yl)-1H-quinolin-4-one
CID 141027507
3-methoxy-5H-phenanthridin-6-one
CID 12706603
7-methoxy-1H-3,1-benzoxazine-2,4-dione
CID 14381997
7-methoxy-2-(6-methyl-2-pyridinyl)-1H-quinolin-4-one
CID 23003026
methyl 4-oxo-7-(trifluoromethyl)-1H-quinoline-2-carboxylate
CID 22017497
1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 604823

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-7-methoxy-1H-quinolin-4-one?
The IUPAC name of 2-acetyl-7-methoxy-1H-quinolin-4-one (CID 59108287) is 2-acetyl-7-methoxy-1H-quinolin-4-one.
What is the SMILES notation for 2-acetyl-7-methoxy-1H-quinolin-4-one?
The canonical SMILES for 2-acetyl-7-methoxy-1H-quinolin-4-one is COc1ccc2c(=O)cc(C(C)=O)[nH]c2c1.
What is the InChIKey of 2-acetyl-7-methoxy-1H-quinolin-4-one?
The InChIKey is LAUSKJXKWVQANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-7(14)10-6-12(15)9-4-3-8(16-2)5-11(9)13-10/h3-6H,1-2H3,(H,13,15).
What are the key properties of 2-acetyl-7-methoxy-1H-quinolin-4-one?
2-acetyl-7-methoxy-1H-quinolin-4-one has a molecular weight of 217.22 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-7-methoxy-1H-quinolin-4-one is sourced from PubChem (CID 59108287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).