4-(4-fluorophenyl)-2-methylisoquinolin-1-one

C16H12FNO — CID 134913964

IUPAC4-(4-fluorophenyl)-2-methylisoquinolin-1-one
SMILESCn1cc(-c2ccc(F)cc2)c2ccccc2c1=O
InChIInChI=1S/C16H12FNO/c1-18-10-15(11-6-8-12(17)9-7-11)13-4-2-3-5-14(13)16(18)19/h2-10H,1H3
InChIKeyWDFLTLLOZRPTBV-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.34
Rot. Bonds1

About 4-(4-fluorophenyl)-2-methylisoquinolin-1-one

4-(4-fluorophenyl)-2-methylisoquinolin-1-one (PubChem CID 134913964) has the molecular formula C16H12FNO and a molecular weight of 253.28 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methylisoquinolin-1-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methylisoquinolin-1-one
PubChem CID134913964
Molecular FormulaC16H12FNO
Molecular Weight253.28 g/mol
Exact Mass253.09
IUPAC Name4-(4-fluorophenyl)-2-methylisoquinolin-1-one
SMILESCn1cc(-c2ccc(F)cc2)c2ccccc2c1=O
InChIInChI=1S/C16H12FNO/c1-18-10-15(11-6-8-12(17)9-7-11)13-4-2-3-5-14(13)16(18)19/h2-10H,1H3
InChIKeyWDFLTLLOZRPTBV-UHFFFAOYSA-N
XLogP3.34
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-amino-4-fluorophenyl)-2-methylisoquinolin-1-one
CID 118021689
4-[4-[(1R)-1-aminoethyl]phenyl]-2-methylisoquinolin-1-one
CID 134258771
4-(3-aminophenyl)-6-fluoro-2-methylisoquinolin-1-one
CID 134310818
2-methyl-4-(2-methylphenyl)isoquinolin-1-one
CID 10377377
6-chloro-2-methyl-4-phenylisoquinolin-1-one
CID 139653195
2-methyl-4-[3-(methylamino)phenyl]isoquinolin-1-one
CID 118021552
4-(3-amino-2-fluorophenyl)-2-methylisoquinolin-1-one;hydrochloride
CID 146479351
4-(3-hydroxysulfanylphenyl)-2-methylisoquinolin-1-one
CID 134310761
2-methyl-4-thiophen-2-ylisoquinolin-1-one
CID 134987161
4-[5-amino-2-[(2,4-difluorophenyl)methyl]phenyl]-2-methylisoquinolin-1-one
CID 158491150
4-(2-fluoro-5-methylsulfonylphenyl)-2-methylisoquinolin-1-one
CID 118021901
3-(4-fluorophenyl)-1-propan-2-ylindole
CID 736229

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methylisoquinolin-1-one?
The IUPAC name of 4-(4-fluorophenyl)-2-methylisoquinolin-1-one (CID 134913964) is 4-(4-fluorophenyl)-2-methylisoquinolin-1-one.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methylisoquinolin-1-one?
The canonical SMILES for 4-(4-fluorophenyl)-2-methylisoquinolin-1-one is Cn1cc(-c2ccc(F)cc2)c2ccccc2c1=O.
What is the InChIKey of 4-(4-fluorophenyl)-2-methylisoquinolin-1-one?
The InChIKey is WDFLTLLOZRPTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO/c1-18-10-15(11-6-8-12(17)9-7-11)13-4-2-3-5-14(13)16(18)19/h2-10H,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-methylisoquinolin-1-one?
4-(4-fluorophenyl)-2-methylisoquinolin-1-one has a molecular weight of 253.28 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methylisoquinolin-1-one is sourced from PubChem (CID 134913964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).