1-(2-chlorophenyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline

C18H20ClNO2 — CID 2835006

IUPAC1-(2-chlorophenyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)C(c1ccccc1Cl)N(C)CC2
InChIInChI=1S/C18H20ClNO2/c1-20-9-8-12-10-16(21-2)17(22-3)11-14(12)18(20)13-6-4-5-7-15(13)19/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeyPVAPGFSGANFBLO-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.93
Rot. Bonds3

About 1-(2-chlorophenyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline

1-(2-chlorophenyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 2835006) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name1-(2-chlorophenyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID2835006
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name1-(2-chlorophenyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)C(c1ccccc1Cl)N(C)CC2
InChIInChI=1S/C18H20ClNO2/c1-20-9-8-12-10-16(21-2)17(22-3)11-14(12)18(20)13-6-4-5-7-15(13)19/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeyPVAPGFSGANFBLO-UHFFFAOYSA-N
XLogP3.93
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 1-(2-chlorophenyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline (CID 2835006) is 1-(2-chlorophenyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 1-(2-chlorophenyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 1-(2-chlorophenyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline is COc1cc2c(cc1OC)C(c1ccccc1Cl)N(C)CC2.
What is the InChIKey of 1-(2-chlorophenyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is PVAPGFSGANFBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-20-9-8-12-10-16(21-2)17(22-3)11-14(12)18(20)13-6-4-5-7-15(13)19/h4-7,10-11,18H,8-9H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
1-(2-chlorophenyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 317.82 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 2835006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).