6-cyclopentyloxy-7-methoxy-N-(4-methylphenyl)-1-phenyl-3,4-dihydroisoquinoline-3-carboxamide

C29H30N2O3 — CID 155545548

IUPAC6-cyclopentyloxy-7-methoxy-N-(4-methylphenyl)-1-phenyl-3,4-dihydroisoquinoline-3-carboxamide
SMILESCOc1cc2c(cc1OC1CCCC1)CC(C(=O)Nc1ccc(C)cc1)N=C2c1ccccc1
InChIInChI=1S/C29H30N2O3/c1-19-12-14-22(15-13-19)30-29(32)25-16-21-17-27(34-23-10-6-7-11-23)26(33-2)18-24(21)28(31-25)20-8-4-3-5-9-20/h3-5,8-9,12-15,17-18,23,25H,6-7,10-11,16H2,1-2H3,(H,30,32)
InChIKeyVMISFRHYDNYLNR-UHFFFAOYSA-N
MW454.57 g/mol
LogP5.73
Rot. Bonds6

About 6-cyclopentyloxy-7-methoxy-N-(4-methylphenyl)-1-phenyl-3,4-dihydroisoquinoline-3-carboxamide

6-cyclopentyloxy-7-methoxy-N-(4-methylphenyl)-1-phenyl-3,4-dihydroisoquinoline-3-carboxamide (PubChem CID 155545548) has the molecular formula C29H30N2O3 and a molecular weight of 454.57 g/mol. Its IUPAC name is 6-cyclopentyloxy-7-methoxy-N-(4-methylphenyl)-1-phenyl-3,4-dihydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name6-cyclopentyloxy-7-methoxy-N-(4-methylphenyl)-1-phenyl-3,4-dihydroisoquinoline-3-carboxamide
PubChem CID155545548
Molecular FormulaC29H30N2O3
Molecular Weight454.57 g/mol
Exact Mass454.23
IUPAC Name6-cyclopentyloxy-7-methoxy-N-(4-methylphenyl)-1-phenyl-3,4-dihydroisoquinoline-3-carboxamide
SMILESCOc1cc2c(cc1OC1CCCC1)CC(C(=O)Nc1ccc(C)cc1)N=C2c1ccccc1
InChIInChI=1S/C29H30N2O3/c1-19-12-14-22(15-13-19)30-29(32)25-16-21-17-27(34-23-10-6-7-11-23)26(33-2)18-24(21)28(31-25)20-8-4-3-5-9-20/h3-5,8-9,12-15,17-18,23,25H,6-7,10-11,16H2,1-2H3,(H,30,32)
InChIKeyVMISFRHYDNYLNR-UHFFFAOYSA-N
XLogP5.73
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-cyclopentyloxy-7-methoxy-N-(4-methylphenyl)-1-phenyl-3,4-dihydroisoquinoline-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 6-cyclopentyloxy-7-methoxy-N-(4-methylphenyl)-1-phenyl-3,4-dihydroisoquinoline-3-carboxamide?
The IUPAC name of 6-cyclopentyloxy-7-methoxy-N-(4-methylphenyl)-1-phenyl-3,4-dihydroisoquinoline-3-carboxamide (CID 155545548) is 6-cyclopentyloxy-7-methoxy-N-(4-methylphenyl)-1-phenyl-3,4-dihydroisoquinoline-3-carboxamide.
What is the SMILES notation for 6-cyclopentyloxy-7-methoxy-N-(4-methylphenyl)-1-phenyl-3,4-dihydroisoquinoline-3-carboxamide?
The canonical SMILES for 6-cyclopentyloxy-7-methoxy-N-(4-methylphenyl)-1-phenyl-3,4-dihydroisoquinoline-3-carboxamide is COc1cc2c(cc1OC1CCCC1)CC(C(=O)Nc1ccc(C)cc1)N=C2c1ccccc1.
What is the InChIKey of 6-cyclopentyloxy-7-methoxy-N-(4-methylphenyl)-1-phenyl-3,4-dihydroisoquinoline-3-carboxamide?
The InChIKey is VMISFRHYDNYLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O3/c1-19-12-14-22(15-13-19)30-29(32)25-16-21-17-27(34-23-10-6-7-11-23)26(33-2)18-24(21)28(31-25)20-8-4-3-5-9-20/h3-5,8-9,12-15,17-18,23,25H,6-7,10-11,16H2,1-2H3,(H,30,32).
What are the key properties of 6-cyclopentyloxy-7-methoxy-N-(4-methylphenyl)-1-phenyl-3,4-dihydroisoquinoline-3-carboxamide?
6-cyclopentyloxy-7-methoxy-N-(4-methylphenyl)-1-phenyl-3,4-dihydroisoquinoline-3-carboxamide has a molecular weight of 454.57 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyloxy-7-methoxy-N-(4-methylphenyl)-1-phenyl-3,4-dihydroisoquinoline-3-carboxamide is sourced from PubChem (CID 155545548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).