8-chloro-7-fluoro-5-methoxy-3,4-dihydro-1H-quinolin-2-one

C10H9ClFNO2 — CID 118905232

IUPAC8-chloro-7-fluoro-5-methoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc(F)c(Cl)c2c1CCC(=O)N2
InChIInChI=1S/C10H9ClFNO2/c1-15-7-4-6(12)9(11)10-5(7)2-3-8(14)13-10/h4H,2-3H2,1H3,(H,13,14)
InChIKeyHJUYEWHVEWFHGB-UHFFFAOYSA-N
MW229.64 g/mol
LogP2.37
Rot. Bonds1

About 8-chloro-7-fluoro-5-methoxy-3,4-dihydro-1H-quinolin-2-one

8-chloro-7-fluoro-5-methoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 118905232) has the molecular formula C10H9ClFNO2 and a molecular weight of 229.64 g/mol. Its IUPAC name is 8-chloro-7-fluoro-5-methoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-chloro-7-fluoro-5-methoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID118905232
Molecular FormulaC10H9ClFNO2
Molecular Weight229.64 g/mol
Exact Mass229.03
IUPAC Name8-chloro-7-fluoro-5-methoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc(F)c(Cl)c2c1CCC(=O)N2
InChIInChI=1S/C10H9ClFNO2/c1-15-7-4-6(12)9(11)10-5(7)2-3-8(14)13-10/h4H,2-3H2,1H3,(H,13,14)
InChIKeyHJUYEWHVEWFHGB-UHFFFAOYSA-N
XLogP2.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.64
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 82159265
6-methoxy-8,9-dimethyl-4,5-dihydro-2-benzazepine-1,3-dione
CID 82159073
8-chloro-5-[[1-(2,4-difluoro-5-methoxyphenyl)-4-hydroxypiperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 118904681
(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl) acetate
CID 151634733
5-[[(3R,4R)-1-(4-bromo-2-fluorophenyl)-3,4-dihydroxypiperidin-4-yl]methoxy]-8-chloro-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 118904012
8-bromo-7-fluoro-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one
CID 118904303
5,6-dichloro-8-hydroxy-3,4-dihydro-1H-quinolin-2-one
CID 12899435
8-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 130051331
5-[[(3S,4S)-1-(3,5-dichloro-2-pyridinyl)-4-hydroxy-3-methoxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 118904862
1-(2,5-dichlorophenyl)-4-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxymethyl]piperidine-4-carboxylic acid
CID 118905119
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
6-(5-fluoro-2-methoxyphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 145058135

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-fluoro-5-methoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-chloro-7-fluoro-5-methoxy-3,4-dihydro-1H-quinolin-2-one (CID 118905232) is 8-chloro-7-fluoro-5-methoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-chloro-7-fluoro-5-methoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-chloro-7-fluoro-5-methoxy-3,4-dihydro-1H-quinolin-2-one is COc1cc(F)c(Cl)c2c1CCC(=O)N2.
What is the InChIKey of 8-chloro-7-fluoro-5-methoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is HJUYEWHVEWFHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO2/c1-15-7-4-6(12)9(11)10-5(7)2-3-8(14)13-10/h4H,2-3H2,1H3,(H,13,14).
What are the key properties of 8-chloro-7-fluoro-5-methoxy-3,4-dihydro-1H-quinolin-2-one?
8-chloro-7-fluoro-5-methoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 229.64 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-fluoro-5-methoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 118905232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).