N-(2,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide

C29H30N4O4 — CID 15991885

IUPACN-(2,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cnc(N3CCN(c4ccccc4OC)CC3)c3ccccc23)c1
InChIInChI=1S/C29H30N4O4/c1-35-20-12-13-26(36-2)24(18-20)31-29(34)23-19-30-28(22-9-5-4-8-21(22)23)33-16-14-32(15-17-33)25-10-6-7-11-27(25)37-3/h4-13,18-19H,14-17H2,1-3H3,(H,31,34)
InChIKeyNCOIQNZIOQERCP-UHFFFAOYSA-N
MW498.58 g/mol
LogP4.84
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide

N-(2,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide (PubChem CID 15991885) has the molecular formula C29H30N4O4 and a molecular weight of 498.58 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide
PubChem CID15991885
Molecular FormulaC29H30N4O4
Molecular Weight498.58 g/mol
Exact Mass498.23
IUPAC NameN-(2,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cnc(N3CCN(c4ccccc4OC)CC3)c3ccccc23)c1
InChIInChI=1S/C29H30N4O4/c1-35-20-12-13-26(36-2)24(18-20)31-29(34)23-19-30-28(22-9-5-4-8-21(22)23)33-16-14-32(15-17-33)25-10-6-7-11-27(25)37-3/h4-13,18-19H,14-17H2,1-3H3,(H,31,34)
InChIKeyNCOIQNZIOQERCP-UHFFFAOYSA-N
XLogP4.84
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-fluoro-4-methylphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide
CID 122174425
[4-(2-fluorophenyl)piperazin-1-yl]-[1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinolin-4-yl]methanone
CID 22330805
(3,5-dimethylpiperidin-1-yl)-[1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinolin-4-yl]methanone
CID 122174431
1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)isoquinoline-4-carboxamide
CID 126476783
N-(4-fluorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylisoquinoline-4-carboxamide
CID 22334009
4-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113113504
N-(2,5-dimethoxyphenyl)-1-methylindole-3-carboxamide
CID 25343212
2-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]benzoic acid
CID 1348361
N-(2,5-dimethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355355
N-[(4-methoxyphenyl)methyl]-1-piperidin-1-ylisoquinoline-4-carboxamide
CID 46360383
5-bromo-N-(2,5-dimethoxyphenyl)naphthalene-1-carboxamide
CID 1369979
N-(2,5-dimethoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 4779254

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide (CID 15991885) is N-(2,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide is COc1ccc(OC)c(NC(=O)c2cnc(N3CCN(c4ccccc4OC)CC3)c3ccccc23)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide?
The InChIKey is NCOIQNZIOQERCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O4/c1-35-20-12-13-26(36-2)24(18-20)31-29(34)23-19-30-28(22-9-5-4-8-21(22)23)33-16-14-32(15-17-33)25-10-6-7-11-27(25)37-3/h4-13,18-19H,14-17H2,1-3H3,(H,31,34).
What are the key properties of N-(2,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide?
N-(2,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide has a molecular weight of 498.58 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide is sourced from PubChem (CID 15991885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).