7-chloro-4-(4-fluorophenyl)-1-methylisoquinoline

C16H11ClFN — CID 134869359

IUPAC7-chloro-4-(4-fluorophenyl)-1-methylisoquinoline
SMILESCc1ncc(-c2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C16H11ClFN/c1-10-15-8-12(17)4-7-14(15)16(9-19-10)11-2-5-13(18)6-3-11/h2-9H,1H3
InChIKeyZLWDQOCGAQZBFG-UHFFFAOYSA-N
MW271.72 g/mol
LogP5.00
Rot. Bonds1

About 7-chloro-4-(4-fluorophenyl)-1-methylisoquinoline

7-chloro-4-(4-fluorophenyl)-1-methylisoquinoline (PubChem CID 134869359) has the molecular formula C16H11ClFN and a molecular weight of 271.72 g/mol. Its IUPAC name is 7-chloro-4-(4-fluorophenyl)-1-methylisoquinoline.

Molecular Properties

Compound Name7-chloro-4-(4-fluorophenyl)-1-methylisoquinoline
PubChem CID134869359
Molecular FormulaC16H11ClFN
Molecular Weight271.72 g/mol
Exact Mass271.06
IUPAC Name7-chloro-4-(4-fluorophenyl)-1-methylisoquinoline
SMILESCc1ncc(-c2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C16H11ClFN/c1-10-15-8-12(17)4-7-14(15)16(9-19-10)11-2-5-13(18)6-3-11/h2-9H,1H3
InChIKeyZLWDQOCGAQZBFG-UHFFFAOYSA-N
XLogP5.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.72
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-chloro-4-(4-fluorophenyl)-1-methylisoquinoline 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

(+-)-Chlorpheniramine
CID 2725
Dexchlorpheniramine
CID 33036
Rupatadine
CID 133017
(-)-Chlorpheniramine
CID 716121
4-Chlorobenzo(f)isoquinoline
CID 11401613
3-Phenylisoquinoline
CID 609614
1-Phenylisoquinoline
CID 137882
13-Chloro-2-(1-ethylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 10315110
2-(4'-Chlorobenzyl)pyridine
CID 78054
Isoquinoline, 1-chloro-
CID 140539
7-Chloro-3-pyridin-4-yl-quinoline
CID 10354294
13-Chloro-2-(1-propan-2-ylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 68168663

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(4-fluorophenyl)-1-methylisoquinoline?
The IUPAC name of 7-chloro-4-(4-fluorophenyl)-1-methylisoquinoline (CID 134869359) is 7-chloro-4-(4-fluorophenyl)-1-methylisoquinoline.
What is the SMILES notation for 7-chloro-4-(4-fluorophenyl)-1-methylisoquinoline?
The canonical SMILES for 7-chloro-4-(4-fluorophenyl)-1-methylisoquinoline is Cc1ncc(-c2ccc(F)cc2)c2ccc(Cl)cc12.
What is the InChIKey of 7-chloro-4-(4-fluorophenyl)-1-methylisoquinoline?
The InChIKey is ZLWDQOCGAQZBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN/c1-10-15-8-12(17)4-7-14(15)16(9-19-10)11-2-5-13(18)6-3-11/h2-9H,1H3.
What are the key properties of 7-chloro-4-(4-fluorophenyl)-1-methylisoquinoline?
7-chloro-4-(4-fluorophenyl)-1-methylisoquinoline has a molecular weight of 271.72 g/mol, XLogP of 5.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(4-fluorophenyl)-1-methylisoquinoline is sourced from PubChem (CID 134869359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).