6,8-dichloro-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline

C16H14Cl2FN — CID 22386834

IUPAC6,8-dichloro-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(F)cc2)C1
InChIInChI=1S/C16H14Cl2FN/c1-20-8-14(10-2-4-12(19)5-3-10)13-6-11(17)7-16(18)15(13)9-20/h2-7,14H,8-9H2,1H3
InChIKeyLQKVSIAEMCZTBA-UHFFFAOYSA-N
MW310.20 g/mol
LogP4.71
Rot. Bonds1

About 6,8-dichloro-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline

6,8-dichloro-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 22386834) has the molecular formula C16H14Cl2FN and a molecular weight of 310.20 g/mol. Its IUPAC name is 6,8-dichloro-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6,8-dichloro-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID22386834
Molecular FormulaC16H14Cl2FN
Molecular Weight310.20 g/mol
Exact Mass309.05
IUPAC Name6,8-dichloro-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(F)cc2)C1
InChIInChI=1S/C16H14Cl2FN/c1-20-8-14(10-2-4-12(19)5-3-10)13-6-11(17)7-16(18)15(13)9-20/h2-7,14H,8-9H2,1H3
InChIKeyLQKVSIAEMCZTBA-UHFFFAOYSA-N
XLogP4.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6,8-dichloro-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline (CID 22386834) is 6,8-dichloro-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6,8-dichloro-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6,8-dichloro-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline is CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(F)cc2)C1.
What is the InChIKey of 6,8-dichloro-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is LQKVSIAEMCZTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FN/c1-20-8-14(10-2-4-12(19)5-3-10)13-6-11(17)7-16(18)15(13)9-20/h2-7,14H,8-9H2,1H3.
What are the key properties of 6,8-dichloro-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
6,8-dichloro-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 310.20 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 22386834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).