N-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C19H22N2O3 — CID 5302342

IUPACN-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCOc1cc2c(cc1OC)CC(C(=O)NCc1ccccc1)NC2
InChIInChI=1S/C19H22N2O3/c1-23-17-9-14-8-16(20-12-15(14)10-18(17)24-2)19(22)21-11-13-6-4-3-5-7-13/h3-7,9-10,16,20H,8,11-12H2,1-2H3,(H,21,22)
InChIKeyFLGDIWRBPOITGU-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.03
Rot. Bonds5

About N-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

N-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 5302342) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID5302342
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCOc1cc2c(cc1OC)CC(C(=O)NCc1ccccc1)NC2
InChIInChI=1S/C19H22N2O3/c1-23-17-9-14-8-16(20-12-15(14)10-18(17)24-2)19(22)21-11-13-6-4-3-5-7-13/h3-7,9-10,16,20H,8,11-12H2,1-2H3,(H,21,22)
InChIKeyFLGDIWRBPOITGU-UHFFFAOYSA-N
XLogP2.03
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 5302342) is N-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is COc1cc2c(cc1OC)CC(C(=O)NCc1ccccc1)NC2.
What is the InChIKey of N-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is FLGDIWRBPOITGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-23-17-9-14-8-16(20-12-15(14)10-18(17)24-2)19(22)21-11-13-6-4-3-5-7-13/h3-7,9-10,16,20H,8,11-12H2,1-2H3,(H,21,22).
What are the key properties of N-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 5302342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).