4-(3,4-dichlorophenyl)-6-fluoro-2-methyl-7-pyridin-2-yl-3,4-dihydro-1H-isoquinoline

C21H17Cl2FN2 — CID 66789597

IUPAC4-(3,4-dichlorophenyl)-6-fluoro-2-methyl-7-pyridin-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2cc(-c3ccccn3)c(F)cc2C(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C21H17Cl2FN2/c1-26-11-14-8-16(21-4-2-3-7-25-21)20(24)10-15(14)17(12-26)13-5-6-18(22)19(23)9-13/h2-10,17H,11-12H2,1H3
InChIKeyFQUGHEQYXOZYGJ-UHFFFAOYSA-N
MW387.29 g/mol
LogP5.77
Rot. Bonds2

About 4-(3,4-dichlorophenyl)-6-fluoro-2-methyl-7-pyridin-2-yl-3,4-dihydro-1H-isoquinoline

4-(3,4-dichlorophenyl)-6-fluoro-2-methyl-7-pyridin-2-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 66789597) has the molecular formula C21H17Cl2FN2 and a molecular weight of 387.29 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-6-fluoro-2-methyl-7-pyridin-2-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-6-fluoro-2-methyl-7-pyridin-2-yl-3,4-dihydro-1H-isoquinoline
PubChem CID66789597
Molecular FormulaC21H17Cl2FN2
Molecular Weight387.29 g/mol
Exact Mass386.08
IUPAC Name4-(3,4-dichlorophenyl)-6-fluoro-2-methyl-7-pyridin-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2cc(-c3ccccn3)c(F)cc2C(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C21H17Cl2FN2/c1-26-11-14-8-16(21-4-2-3-7-25-21)20(24)10-15(14)17(12-26)13-5-6-18(22)19(23)9-13/h2-10,17H,11-12H2,1H3
InChIKeyFQUGHEQYXOZYGJ-UHFFFAOYSA-N
XLogP5.77
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.29
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-6-fluoro-2-methyl-7-pyridin-2-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-(3,4-dichlorophenyl)-6-fluoro-2-methyl-7-pyridin-2-yl-3,4-dihydro-1H-isoquinoline (CID 66789597) is 4-(3,4-dichlorophenyl)-6-fluoro-2-methyl-7-pyridin-2-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-6-fluoro-2-methyl-7-pyridin-2-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-(3,4-dichlorophenyl)-6-fluoro-2-methyl-7-pyridin-2-yl-3,4-dihydro-1H-isoquinoline is CN1Cc2cc(-c3ccccn3)c(F)cc2C(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-6-fluoro-2-methyl-7-pyridin-2-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is FQUGHEQYXOZYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2FN2/c1-26-11-14-8-16(21-4-2-3-7-25-21)20(24)10-15(14)17(12-26)13-5-6-18(22)19(23)9-13/h2-10,17H,11-12H2,1H3.
What are the key properties of 4-(3,4-dichlorophenyl)-6-fluoro-2-methyl-7-pyridin-2-yl-3,4-dihydro-1H-isoquinoline?
4-(3,4-dichlorophenyl)-6-fluoro-2-methyl-7-pyridin-2-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 387.29 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-6-fluoro-2-methyl-7-pyridin-2-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 66789597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).