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

C18H19ClN2O3 — CID 4214450

IUPACN-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1cc2c(cc1OC)CN(C(=O)Nc1ccccc1Cl)CC2
InChIInChI=1S/C18H19ClN2O3/c1-23-16-9-12-7-8-21(11-13(12)10-17(16)24-2)18(22)20-15-6-4-3-5-14(15)19/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22)
InChIKeyXQVGPVAWFHTOKT-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.95
Rot. Bonds3

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

N-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 4214450) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID4214450
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1cc2c(cc1OC)CN(C(=O)Nc1ccccc1Cl)CC2
InChIInChI=1S/C18H19ClN2O3/c1-23-16-9-12-7-8-21(11-13(12)10-17(16)24-2)18(22)20-15-6-4-3-5-14(15)19/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22)
InChIKeyXQVGPVAWFHTOKT-UHFFFAOYSA-N
XLogP3.95
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 4214450) is N-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide is COc1cc2c(cc1OC)CN(C(=O)Nc1ccccc1Cl)CC2.
What is the InChIKey of N-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is XQVGPVAWFHTOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-23-16-9-12-7-8-21(11-13(12)10-17(16)24-2)18(22)20-15-6-4-3-5-14(15)19/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22).
What are the key properties of N-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 346.81 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 4214450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).