6-fluoro-2-methoxy-3-phenylisoquinolin-1-one

C16H12FNO2 — CID 102141100

IUPAC6-fluoro-2-methoxy-3-phenylisoquinolin-1-one
SMILESCOn1c(-c2ccccc2)cc2cc(F)ccc2c1=O
InChIInChI=1S/C16H12FNO2/c1-20-18-15(11-5-3-2-4-6-11)10-12-9-13(17)7-8-14(12)16(18)19/h2-10H,1H3
InChIKeyKWLWRMCKFBUGRM-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.87
Rot. Bonds2

About 6-fluoro-2-methoxy-3-phenylisoquinolin-1-one

6-fluoro-2-methoxy-3-phenylisoquinolin-1-one (PubChem CID 102141100) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is 6-fluoro-2-methoxy-3-phenylisoquinolin-1-one.

Molecular Properties

Compound Name6-fluoro-2-methoxy-3-phenylisoquinolin-1-one
PubChem CID102141100
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name6-fluoro-2-methoxy-3-phenylisoquinolin-1-one
SMILESCOn1c(-c2ccccc2)cc2cc(F)ccc2c1=O
InChIInChI=1S/C16H12FNO2/c1-20-18-15(11-5-3-2-4-6-11)10-12-9-13(17)7-8-14(12)16(18)19/h2-10H,1H3
InChIKeyKWLWRMCKFBUGRM-UHFFFAOYSA-N
XLogP2.87
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-2-methoxy-1-oxoisoquinoline-3-carboxylic acid
CID 175651724
6-chloro-2-methyl-3-phenylisoquinolin-1-one
CID 12931129
6-methyl-2-[(4-methylphenyl)methyl]-3-phenylisoquinolin-1-one
CID 10449864
7-methoxy-2-methyl-3-phenylisoquinolin-1-one
CID 12931131
7-fluoro-3-methoxy-2-nonylquinazolin-4-one
CID 155544701
2,6-dimethyl-3,7-diphenyl-2,6-naphthyridine-1,5-dione
CID 139056191
(4-methyl-3-methylsulfanyl-2-oxo-6-phenyl-1-pyridinyl) methanesulfonate
CID 23212735
6-fluoro-1,3-diphenylcyclopenta[a]indene-2,4-dione
CID 163600910
3,6-difluoro-10-phenylacridin-9-one
CID 156785373
3-(5-fluoroindol-1-yl)-1-methyl-4-phenylquinolin-2-one
CID 134306089
3-fluoro-10-(4-phenylphenyl)acridin-9-one
CID 176670421
(2R)-2-(6-fluoro-1-oxoisoquinolin-2-yl)propanoic acid
CID 93211301

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methoxy-3-phenylisoquinolin-1-one?
The IUPAC name of 6-fluoro-2-methoxy-3-phenylisoquinolin-1-one (CID 102141100) is 6-fluoro-2-methoxy-3-phenylisoquinolin-1-one.
What is the SMILES notation for 6-fluoro-2-methoxy-3-phenylisoquinolin-1-one?
The canonical SMILES for 6-fluoro-2-methoxy-3-phenylisoquinolin-1-one is COn1c(-c2ccccc2)cc2cc(F)ccc2c1=O.
What is the InChIKey of 6-fluoro-2-methoxy-3-phenylisoquinolin-1-one?
The InChIKey is KWLWRMCKFBUGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c1-20-18-15(11-5-3-2-4-6-11)10-12-9-13(17)7-8-14(12)16(18)19/h2-10H,1H3.
What are the key properties of 6-fluoro-2-methoxy-3-phenylisoquinolin-1-one?
6-fluoro-2-methoxy-3-phenylisoquinolin-1-one has a molecular weight of 269.28 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methoxy-3-phenylisoquinolin-1-one is sourced from PubChem (CID 102141100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).