4-(4-chlorophenyl)-8-methoxy-1,2-dihydrobenzo[f]isoquinoline

C20H16ClNO — CID 21497144

IUPAC4-(4-chlorophenyl)-8-methoxy-1,2-dihydrobenzo[f]isoquinoline
SMILESCOc1ccc2c3c(ccc2c1)C(c1ccc(Cl)cc1)=NCC3
InChIInChI=1S/C20H16ClNO/c1-23-16-7-9-17-14(12-16)4-8-19-18(17)10-11-22-20(19)13-2-5-15(21)6-3-13/h2-9,12H,10-11H2,1H3
InChIKeyGJIWYCGVFNHITK-UHFFFAOYSA-N
MW321.81 g/mol
LogP4.90
Rot. Bonds2

About 4-(4-chlorophenyl)-8-methoxy-1,2-dihydrobenzo[f]isoquinoline

4-(4-chlorophenyl)-8-methoxy-1,2-dihydrobenzo[f]isoquinoline (PubChem CID 21497144) has the molecular formula C20H16ClNO and a molecular weight of 321.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-8-methoxy-1,2-dihydrobenzo[f]isoquinoline.

Molecular Properties

Compound Name4-(4-chlorophenyl)-8-methoxy-1,2-dihydrobenzo[f]isoquinoline
PubChem CID21497144
Molecular FormulaC20H16ClNO
Molecular Weight321.81 g/mol
Exact Mass321.09
IUPAC Name4-(4-chlorophenyl)-8-methoxy-1,2-dihydrobenzo[f]isoquinoline
SMILESCOc1ccc2c3c(ccc2c1)C(c1ccc(Cl)cc1)=NCC3
InChIInChI=1S/C20H16ClNO/c1-23-16-7-9-17-14(12-16)4-8-19-18(17)10-11-22-20(19)13-2-5-15(21)6-3-13/h2-9,12H,10-11H2,1H3
InChIKeyGJIWYCGVFNHITK-UHFFFAOYSA-N
XLogP4.90
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-8-methoxy-1,2-dihydrobenzo[f]isoquinoline?
The IUPAC name of 4-(4-chlorophenyl)-8-methoxy-1,2-dihydrobenzo[f]isoquinoline (CID 21497144) is 4-(4-chlorophenyl)-8-methoxy-1,2-dihydrobenzo[f]isoquinoline.
What is the SMILES notation for 4-(4-chlorophenyl)-8-methoxy-1,2-dihydrobenzo[f]isoquinoline?
The canonical SMILES for 4-(4-chlorophenyl)-8-methoxy-1,2-dihydrobenzo[f]isoquinoline is COc1ccc2c3c(ccc2c1)C(c1ccc(Cl)cc1)=NCC3.
What is the InChIKey of 4-(4-chlorophenyl)-8-methoxy-1,2-dihydrobenzo[f]isoquinoline?
The InChIKey is GJIWYCGVFNHITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO/c1-23-16-7-9-17-14(12-16)4-8-19-18(17)10-11-22-20(19)13-2-5-15(21)6-3-13/h2-9,12H,10-11H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-8-methoxy-1,2-dihydrobenzo[f]isoquinoline?
4-(4-chlorophenyl)-8-methoxy-1,2-dihydrobenzo[f]isoquinoline has a molecular weight of 321.81 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-8-methoxy-1,2-dihydrobenzo[f]isoquinoline is sourced from PubChem (CID 21497144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).