7-chloro-6-methoxy-1-phenyl-3,4-dihydroisoquinoline

C16H14ClNO — CID 46881355

IUPAC7-chloro-6-methoxy-1-phenyl-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1Cl)C(c1ccccc1)=NCC2
InChIInChI=1S/C16H14ClNO/c1-19-15-9-12-7-8-18-16(13(12)10-14(15)17)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3
InChIKeyFZUVNKQQGUOJPW-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.74
Rot. Bonds2

About 7-chloro-6-methoxy-1-phenyl-3,4-dihydroisoquinoline

7-chloro-6-methoxy-1-phenyl-3,4-dihydroisoquinoline (PubChem CID 46881355) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is 7-chloro-6-methoxy-1-phenyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name7-chloro-6-methoxy-1-phenyl-3,4-dihydroisoquinoline
PubChem CID46881355
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name7-chloro-6-methoxy-1-phenyl-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1Cl)C(c1ccccc1)=NCC2
InChIInChI=1S/C16H14ClNO/c1-19-15-9-12-7-8-18-16(13(12)10-14(15)17)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3
InChIKeyFZUVNKQQGUOJPW-UHFFFAOYSA-N
XLogP3.74
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-methoxy-1-phenyl-3,4-dihydroisoquinoline?
The IUPAC name of 7-chloro-6-methoxy-1-phenyl-3,4-dihydroisoquinoline (CID 46881355) is 7-chloro-6-methoxy-1-phenyl-3,4-dihydroisoquinoline.
What is the SMILES notation for 7-chloro-6-methoxy-1-phenyl-3,4-dihydroisoquinoline?
The canonical SMILES for 7-chloro-6-methoxy-1-phenyl-3,4-dihydroisoquinoline is COc1cc2c(cc1Cl)C(c1ccccc1)=NCC2.
What is the InChIKey of 7-chloro-6-methoxy-1-phenyl-3,4-dihydroisoquinoline?
The InChIKey is FZUVNKQQGUOJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c1-19-15-9-12-7-8-18-16(13(12)10-14(15)17)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 7-chloro-6-methoxy-1-phenyl-3,4-dihydroisoquinoline?
7-chloro-6-methoxy-1-phenyl-3,4-dihydroisoquinoline has a molecular weight of 271.75 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-methoxy-1-phenyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 46881355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).