7-chloro-1-(3-chloro-2-fluorophenyl)-6-methoxy-3,4-dihydroisoquinoline

C16H12Cl2FNO — CID 46881359

IUPAC7-chloro-1-(3-chloro-2-fluorophenyl)-6-methoxy-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1Cl)C(c1cccc(Cl)c1F)=NCC2
InChIInChI=1S/C16H12Cl2FNO/c1-21-14-7-9-5-6-20-16(11(9)8-13(14)18)10-3-2-4-12(17)15(10)19/h2-4,7-8H,5-6H2,1H3
InChIKeyCBQQSSIKINIQJI-UHFFFAOYSA-N
MW324.18 g/mol
LogP4.53
Rot. Bonds2

About 7-chloro-1-(3-chloro-2-fluorophenyl)-6-methoxy-3,4-dihydroisoquinoline

7-chloro-1-(3-chloro-2-fluorophenyl)-6-methoxy-3,4-dihydroisoquinoline (PubChem CID 46881359) has the molecular formula C16H12Cl2FNO and a molecular weight of 324.18 g/mol. Its IUPAC name is 7-chloro-1-(3-chloro-2-fluorophenyl)-6-methoxy-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name7-chloro-1-(3-chloro-2-fluorophenyl)-6-methoxy-3,4-dihydroisoquinoline
PubChem CID46881359
Molecular FormulaC16H12Cl2FNO
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name7-chloro-1-(3-chloro-2-fluorophenyl)-6-methoxy-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1Cl)C(c1cccc(Cl)c1F)=NCC2
InChIInChI=1S/C16H12Cl2FNO/c1-21-14-7-9-5-6-20-16(11(9)8-13(14)18)10-3-2-4-12(17)15(10)19/h2-4,7-8H,5-6H2,1H3
InChIKeyCBQQSSIKINIQJI-UHFFFAOYSA-N
XLogP4.53
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(3-chloro-2-fluorophenyl)-6-methoxy-3,4-dihydroisoquinoline?
The IUPAC name of 7-chloro-1-(3-chloro-2-fluorophenyl)-6-methoxy-3,4-dihydroisoquinoline (CID 46881359) is 7-chloro-1-(3-chloro-2-fluorophenyl)-6-methoxy-3,4-dihydroisoquinoline.
What is the SMILES notation for 7-chloro-1-(3-chloro-2-fluorophenyl)-6-methoxy-3,4-dihydroisoquinoline?
The canonical SMILES for 7-chloro-1-(3-chloro-2-fluorophenyl)-6-methoxy-3,4-dihydroisoquinoline is COc1cc2c(cc1Cl)C(c1cccc(Cl)c1F)=NCC2.
What is the InChIKey of 7-chloro-1-(3-chloro-2-fluorophenyl)-6-methoxy-3,4-dihydroisoquinoline?
The InChIKey is CBQQSSIKINIQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FNO/c1-21-14-7-9-5-6-20-16(11(9)8-13(14)18)10-3-2-4-12(17)15(10)19/h2-4,7-8H,5-6H2,1H3.
What are the key properties of 7-chloro-1-(3-chloro-2-fluorophenyl)-6-methoxy-3,4-dihydroisoquinoline?
7-chloro-1-(3-chloro-2-fluorophenyl)-6-methoxy-3,4-dihydroisoquinoline has a molecular weight of 324.18 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(3-chloro-2-fluorophenyl)-6-methoxy-3,4-dihydroisoquinoline is sourced from PubChem (CID 46881359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).