1-(4-chlorophenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline

C19H17ClN2O2 — CID 70681151

IUPAC1-(4-chlorophenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESCOc1cc2c(cc1OC)-c1c(-c3ccc(Cl)cc3)ncn1CC2
InChIInChI=1S/C19H17ClN2O2/c1-23-16-9-13-7-8-22-11-21-18(12-3-5-14(20)6-4-12)19(22)15(13)10-17(16)24-2/h3-6,9-11H,7-8H2,1-2H3
InChIKeyAWQDBAXEVBAAOQ-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.44
Rot. Bonds3

About 1-(4-chlorophenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline

1-(4-chlorophenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline (PubChem CID 70681151) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline.

Molecular Properties

Compound Name1-(4-chlorophenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline
PubChem CID70681151
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name1-(4-chlorophenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESCOc1cc2c(cc1OC)-c1c(-c3ccc(Cl)cc3)ncn1CC2
InChIInChI=1S/C19H17ClN2O2/c1-23-16-9-13-7-8-22-11-21-18(12-3-5-14(20)6-4-12)19(22)15(13)10-17(16)24-2/h3-6,9-11H,7-8H2,1-2H3
InChIKeyAWQDBAXEVBAAOQ-UHFFFAOYSA-N
XLogP4.44
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline?
The IUPAC name of 1-(4-chlorophenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline (CID 70681151) is 1-(4-chlorophenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline.
What is the SMILES notation for 1-(4-chlorophenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline?
The canonical SMILES for 1-(4-chlorophenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline is COc1cc2c(cc1OC)-c1c(-c3ccc(Cl)cc3)ncn1CC2.
What is the InChIKey of 1-(4-chlorophenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline?
The InChIKey is AWQDBAXEVBAAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-23-16-9-13-7-8-22-11-21-18(12-3-5-14(20)6-4-12)19(22)15(13)10-17(16)24-2/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline?
1-(4-chlorophenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline has a molecular weight of 340.81 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline is sourced from PubChem (CID 70681151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).