4-(3-amino-2-fluorophenyl)-2-methylisoquinolin-1-one;hydrochloride

C16H14ClFN2O — CID 146479351

IUPAC4-(3-amino-2-fluorophenyl)-2-methylisoquinolin-1-one;hydrochloride
SMILESCl.Cn1cc(-c2cccc(N)c2F)c2ccccc2c1=O
InChIInChI=1S/C16H13FN2O.ClH/c1-19-9-13(11-7-4-8-14(18)15(11)17)10-5-2-3-6-12(10)16(19)20;/h2-9H,18H2,1H3;1H
InChIKeyRCILPWMONMFOKB-UHFFFAOYSA-N
MW304.75 g/mol
LogP3.35
Rot. Bonds1

About 4-(3-amino-2-fluorophenyl)-2-methylisoquinolin-1-one;hydrochloride

4-(3-amino-2-fluorophenyl)-2-methylisoquinolin-1-one;hydrochloride (PubChem CID 146479351) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is 4-(3-amino-2-fluorophenyl)-2-methylisoquinolin-1-one;hydrochloride.

Molecular Properties

Compound Name4-(3-amino-2-fluorophenyl)-2-methylisoquinolin-1-one;hydrochloride
PubChem CID146479351
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC Name4-(3-amino-2-fluorophenyl)-2-methylisoquinolin-1-one;hydrochloride
SMILESCl.Cn1cc(-c2cccc(N)c2F)c2ccccc2c1=O
InChIInChI=1S/C16H13FN2O.ClH/c1-19-9-13(11-7-4-8-14(18)15(11)17)10-5-2-3-6-12(10)16(19)20;/h2-9H,18H2,1H3;1H
InChIKeyRCILPWMONMFOKB-UHFFFAOYSA-N
XLogP3.35
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-(2-methylphenyl)isoquinolin-1-one
CID 10377377
4-(3-amino-4-fluorophenyl)-2-methylisoquinolin-1-one
CID 118021689
4-(4-fluorophenyl)-2-methylisoquinolin-1-one
CID 134913964
2-(1-methylindol-3-yl)aniline
CID 138983733
4-(2-fluoro-5-methylsulfonylphenyl)-2-methylisoquinolin-1-one
CID 118021901
4-[5-amino-2-[(2,4-difluorophenyl)methyl]phenyl]-2-methylisoquinolin-1-one
CID 158491150
4-(3-aminophenyl)-6-fluoro-2-methylisoquinolin-1-one
CID 134310818
5-amino-4-tert-butyl-2-methylisoquinolin-1-one
CID 115063514
4-[4-[(1R)-1-aminoethyl]phenyl]-2-methylisoquinolin-1-one
CID 134258771
2-methyl-4-thiophen-2-ylisoquinolin-1-one
CID 134987161
2-methyl-4-[3-(methylamino)phenyl]isoquinolin-1-one
CID 118021552
4-(3-hydroxysulfanylphenyl)-2-methylisoquinolin-1-one
CID 134310761

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-fluorophenyl)-2-methylisoquinolin-1-one;hydrochloride?
The IUPAC name of 4-(3-amino-2-fluorophenyl)-2-methylisoquinolin-1-one;hydrochloride (CID 146479351) is 4-(3-amino-2-fluorophenyl)-2-methylisoquinolin-1-one;hydrochloride.
What is the SMILES notation for 4-(3-amino-2-fluorophenyl)-2-methylisoquinolin-1-one;hydrochloride?
The canonical SMILES for 4-(3-amino-2-fluorophenyl)-2-methylisoquinolin-1-one;hydrochloride is Cl.Cn1cc(-c2cccc(N)c2F)c2ccccc2c1=O.
What is the InChIKey of 4-(3-amino-2-fluorophenyl)-2-methylisoquinolin-1-one;hydrochloride?
The InChIKey is RCILPWMONMFOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O.ClH/c1-19-9-13(11-7-4-8-14(18)15(11)17)10-5-2-3-6-12(10)16(19)20;/h2-9H,18H2,1H3;1H.
What are the key properties of 4-(3-amino-2-fluorophenyl)-2-methylisoquinolin-1-one;hydrochloride?
4-(3-amino-2-fluorophenyl)-2-methylisoquinolin-1-one;hydrochloride has a molecular weight of 304.75 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-fluorophenyl)-2-methylisoquinolin-1-one;hydrochloride is sourced from PubChem (CID 146479351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).