N-(4-tert-butylphenyl)-2-[(6,7-dimethoxyquinolin-4-yl)methyl]-1-oxo-3,4-dihydroisoquinoline-5-carboxamide

C32H33N3O4 — CID 24960671

IUPACN-(4-tert-butylphenyl)-2-[(6,7-dimethoxyquinolin-4-yl)methyl]-1-oxo-3,4-dihydroisoquinoline-5-carboxamide
SMILESCOc1cc2nccc(CN3CCc4c(C(=O)Nc5ccc(C(C)(C)C)cc5)cccc4C3=O)c2cc1OC
InChIInChI=1S/C32H33N3O4/c1-32(2,3)21-9-11-22(12-10-21)34-30(36)24-7-6-8-25-23(24)14-16-35(31(25)37)19-20-13-15-33-27-18-29(39-5)28(38-4)17-26(20)27/h6-13,15,17-18H,14,16,19H2,1-5H3,(H,34,36)
InChIKeyUXQWIVZXOYQSRG-UHFFFAOYSA-N
MW523.63 g/mol
LogP6.00
Rot. Bonds6

About N-(4-tert-butylphenyl)-2-[(6,7-dimethoxyquinolin-4-yl)methyl]-1-oxo-3,4-dihydroisoquinoline-5-carboxamide

N-(4-tert-butylphenyl)-2-[(6,7-dimethoxyquinolin-4-yl)methyl]-1-oxo-3,4-dihydroisoquinoline-5-carboxamide (PubChem CID 24960671) has the molecular formula C32H33N3O4 and a molecular weight of 523.63 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[(6,7-dimethoxyquinolin-4-yl)methyl]-1-oxo-3,4-dihydroisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[(6,7-dimethoxyquinolin-4-yl)methyl]-1-oxo-3,4-dihydroisoquinoline-5-carboxamide
PubChem CID24960671
Molecular FormulaC32H33N3O4
Molecular Weight523.63 g/mol
Exact Mass523.25
IUPAC NameN-(4-tert-butylphenyl)-2-[(6,7-dimethoxyquinolin-4-yl)methyl]-1-oxo-3,4-dihydroisoquinoline-5-carboxamide
SMILESCOc1cc2nccc(CN3CCc4c(C(=O)Nc5ccc(C(C)(C)C)cc5)cccc4C3=O)c2cc1OC
InChIInChI=1S/C32H33N3O4/c1-32(2,3)21-9-11-22(12-10-21)34-30(36)24-7-6-8-25-23(24)14-16-35(31(25)37)19-20-13-15-33-27-18-29(39-5)28(38-4)17-26(20)27/h6-13,15,17-18H,14,16,19H2,1-5H3,(H,34,36)
InChIKeyUXQWIVZXOYQSRG-UHFFFAOYSA-N
XLogP6.00
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.63
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-tert-butylphenyl)-2-[(6,7-dimethoxyquinolin-4-yl)methyl]-1-oxo-3,4-dihydroisoquinoline-5-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-(4-tert-butylphenyl)-2-[(6,7-dimethoxyquinolin-4-yl)methyl]-1-oxo-3,4-dihydroisoquinoline-5-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[(6,7-dimethoxyquinolin-4-yl)methyl]-1-oxo-3,4-dihydroisoquinoline-5-carboxamide (CID 24960671) is N-(4-tert-butylphenyl)-2-[(6,7-dimethoxyquinolin-4-yl)methyl]-1-oxo-3,4-dihydroisoquinoline-5-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[(6,7-dimethoxyquinolin-4-yl)methyl]-1-oxo-3,4-dihydroisoquinoline-5-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[(6,7-dimethoxyquinolin-4-yl)methyl]-1-oxo-3,4-dihydroisoquinoline-5-carboxamide is COc1cc2nccc(CN3CCc4c(C(=O)Nc5ccc(C(C)(C)C)cc5)cccc4C3=O)c2cc1OC.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[(6,7-dimethoxyquinolin-4-yl)methyl]-1-oxo-3,4-dihydroisoquinoline-5-carboxamide?
The InChIKey is UXQWIVZXOYQSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O4/c1-32(2,3)21-9-11-22(12-10-21)34-30(36)24-7-6-8-25-23(24)14-16-35(31(25)37)19-20-13-15-33-27-18-29(39-5)28(38-4)17-26(20)27/h6-13,15,17-18H,14,16,19H2,1-5H3,(H,34,36).
What are the key properties of N-(4-tert-butylphenyl)-2-[(6,7-dimethoxyquinolin-4-yl)methyl]-1-oxo-3,4-dihydroisoquinoline-5-carboxamide?
N-(4-tert-butylphenyl)-2-[(6,7-dimethoxyquinolin-4-yl)methyl]-1-oxo-3,4-dihydroisoquinoline-5-carboxamide has a molecular weight of 523.63 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[(6,7-dimethoxyquinolin-4-yl)methyl]-1-oxo-3,4-dihydroisoquinoline-5-carboxamide is sourced from PubChem (CID 24960671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).