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

C16H13ClFNO — CID 46881342

IUPAC7-chloro-1-(3-fluorophenyl)-6-methoxy-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1Cl)C(c1cccc(F)c1)=NCC2
InChIInChI=1S/C16H13ClFNO/c1-20-15-8-10-5-6-19-16(13(10)9-14(15)17)11-3-2-4-12(18)7-11/h2-4,7-9H,5-6H2,1H3
InChIKeyOOCXZXSRHKUOAF-UHFFFAOYSA-N
MW289.74 g/mol
LogP3.88
Rot. Bonds2

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

7-chloro-1-(3-fluorophenyl)-6-methoxy-3,4-dihydroisoquinoline (PubChem CID 46881342) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is 7-chloro-1-(3-fluorophenyl)-6-methoxy-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name7-chloro-1-(3-fluorophenyl)-6-methoxy-3,4-dihydroisoquinoline
PubChem CID46881342
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name7-chloro-1-(3-fluorophenyl)-6-methoxy-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1Cl)C(c1cccc(F)c1)=NCC2
InChIInChI=1S/C16H13ClFNO/c1-20-15-8-10-5-6-19-16(13(10)9-14(15)17)11-3-2-4-12(18)7-11/h2-4,7-9H,5-6H2,1H3
InChIKeyOOCXZXSRHKUOAF-UHFFFAOYSA-N
XLogP3.88
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 53.88
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-fluorophenyl)-6-methoxy-3,4-dihydroisoquinoline?
The IUPAC name of 7-chloro-1-(3-fluorophenyl)-6-methoxy-3,4-dihydroisoquinoline (CID 46881342) is 7-chloro-1-(3-fluorophenyl)-6-methoxy-3,4-dihydroisoquinoline.
What is the SMILES notation for 7-chloro-1-(3-fluorophenyl)-6-methoxy-3,4-dihydroisoquinoline?
The canonical SMILES for 7-chloro-1-(3-fluorophenyl)-6-methoxy-3,4-dihydroisoquinoline is COc1cc2c(cc1Cl)C(c1cccc(F)c1)=NCC2.
What is the InChIKey of 7-chloro-1-(3-fluorophenyl)-6-methoxy-3,4-dihydroisoquinoline?
The InChIKey is OOCXZXSRHKUOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c1-20-15-8-10-5-6-19-16(13(10)9-14(15)17)11-3-2-4-12(18)7-11/h2-4,7-9H,5-6H2,1H3.
What are the key properties of 7-chloro-1-(3-fluorophenyl)-6-methoxy-3,4-dihydroisoquinoline?
7-chloro-1-(3-fluorophenyl)-6-methoxy-3,4-dihydroisoquinoline has a molecular weight of 289.74 g/mol, XLogP of 3.88, 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-fluorophenyl)-6-methoxy-3,4-dihydroisoquinoline is sourced from PubChem (CID 46881342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).