(4-chloro-2-fluorophenyl)-isoquinolin-4-ylmethanone

C16H9ClFNO — CID 63939195

IUPAC(4-chloro-2-fluorophenyl)-isoquinolin-4-ylmethanone
SMILESO=C(c1ccc(Cl)cc1F)c1cncc2ccccc12
InChIInChI=1S/C16H9ClFNO/c17-11-5-6-13(15(18)7-11)16(20)14-9-19-8-10-3-1-2-4-12(10)14/h1-9H
InChIKeyQIEVSLBAYTZYST-UHFFFAOYSA-N
MW285.71 g/mol
LogP4.26
Rot. Bonds2

About (4-chloro-2-fluorophenyl)-isoquinolin-4-ylmethanone

(4-chloro-2-fluorophenyl)-isoquinolin-4-ylmethanone (PubChem CID 63939195) has the molecular formula C16H9ClFNO and a molecular weight of 285.71 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-isoquinolin-4-ylmethanone.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-isoquinolin-4-ylmethanone
PubChem CID63939195
Molecular FormulaC16H9ClFNO
Molecular Weight285.71 g/mol
Exact Mass285.04
IUPAC Name(4-chloro-2-fluorophenyl)-isoquinolin-4-ylmethanone
SMILESO=C(c1ccc(Cl)cc1F)c1cncc2ccccc12
InChIInChI=1S/C16H9ClFNO/c17-11-5-6-13(15(18)7-11)16(20)14-9-19-8-10-3-1-2-4-12(10)14/h1-9H
InChIKeyQIEVSLBAYTZYST-UHFFFAOYSA-N
XLogP4.26
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.71
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-chloro-2-fluorophenyl)-isoquinolin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-fluoro-4-methylphenyl)-isoquinolin-4-ylmethanone
CID 114971945
(5-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanone
CID 114885039
(4-amino-3,5-dichlorophenyl)-isoquinolin-4-ylmethanone
CID 116609827
(2-bromo-6-fluorophenyl)-isoquinolin-4-ylmethanone
CID 114885354
(4-bromo-3-chlorophenyl)-isoquinolin-4-ylmethanone
CID 114971956
2-(3,4-difluorophenyl)-1-isoquinolin-4-ylethanone
CID 114971959
(4-chloro-2-fluorophenyl)-(2-iodophenyl)methanone
CID 115791492
isoquinolin-4-yl(pyrimidin-2-yl)methanone
CID 63939192
(3,5-dibromophenyl)-isoquinolin-4-ylmethanone
CID 107976832
(4-chloro-2-fluorophenyl)-(1-methylindazol-3-yl)methanone
CID 103125118
isoquinolin-4-yl(pyridin-2-yl)methanone
CID 63940731
isoquinolin-4-yl-(4-methylsulfanylphenyl)methanone
CID 114971965

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-isoquinolin-4-ylmethanone?
The IUPAC name of (4-chloro-2-fluorophenyl)-isoquinolin-4-ylmethanone (CID 63939195) is (4-chloro-2-fluorophenyl)-isoquinolin-4-ylmethanone.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-isoquinolin-4-ylmethanone?
The canonical SMILES for (4-chloro-2-fluorophenyl)-isoquinolin-4-ylmethanone is O=C(c1ccc(Cl)cc1F)c1cncc2ccccc12.
What is the InChIKey of (4-chloro-2-fluorophenyl)-isoquinolin-4-ylmethanone?
The InChIKey is QIEVSLBAYTZYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFNO/c17-11-5-6-13(15(18)7-11)16(20)14-9-19-8-10-3-1-2-4-12(10)14/h1-9H.
What are the key properties of (4-chloro-2-fluorophenyl)-isoquinolin-4-ylmethanone?
(4-chloro-2-fluorophenyl)-isoquinolin-4-ylmethanone has a molecular weight of 285.71 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-isoquinolin-4-ylmethanone is sourced from PubChem (CID 63939195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).