4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-carboxamide

C22H24N4O2 — CID 58495776

IUPAC4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-carboxamide
SMILESCOCC1CN(c2cncc3ccc(C(N)=O)cc23)CCN1c1ccccc1
InChIInChI=1S/C22H24N4O2/c1-28-15-19-14-25(9-10-26(19)18-5-3-2-4-6-18)21-13-24-12-17-8-7-16(22(23)27)11-20(17)21/h2-8,11-13,19H,9-10,14-15H2,1H3,(H2,23,27)
InChIKeyMZLIFVNTWFZFFP-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.68
Rot. Bonds5

About 4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-carboxamide

4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-carboxamide (PubChem CID 58495776) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-carboxamide
PubChem CID58495776
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-carboxamide
SMILESCOCC1CN(c2cncc3ccc(C(N)=O)cc23)CCN1c1ccccc1
InChIInChI=1S/C22H24N4O2/c1-28-15-19-14-25(9-10-26(19)18-5-3-2-4-6-18)21-13-24-12-17-8-7-16(22(23)27)11-20(17)21/h2-8,11-13,19H,9-10,14-15H2,1H3,(H2,23,27)
InChIKeyMZLIFVNTWFZFFP-UHFFFAOYSA-N
XLogP2.68
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-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

15-Pgdh-IN-1
CID 135300446
N,N-diethyl-4-(1-piperazinyl(8-quinolinyl)methyl)benzamide
CID 9801260
4-(3-Methylisoquinolin-1-Yl)-N-[2-(Morpholin-4-Yl)ethyl]benzamide
CID 56962332
4-(Isoquinolin-1-Yl)-N-[2-(Morpholin-4-Yl)ethyl]benzamide
CID 57383478
(2-Methyl-4-(8-(3-methyl-4-(morpholinomethyl)phenyl)quinoxalin-2-yl)phenyl)(morpholino)methanone
CID 46885234
(4-(8-(3-Fluoro-4-(morpholinomethyl)phenyl)quinoxalin-2-yl)-2-methylphenyl)(morpholino)methanone
CID 46885289
US10370360, Example 4
CID 130364457
6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-2H-isoquinolin-1-one
CID 135300358
Ethyl 2-[1-oxo-6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]isoquinolin-2-yl]acetate
CID 135300450
4-phenyl-3-(piperidin-1-ylmethyl)-N-quinolin-3-ylbenzamide;dihydrochloride
CID 145960890
N-methyl-4-[1-[2-[3-(2-morpholin-4-ylethylamino)quinolin-6-yl]ethyl]-6-oxopyridazin-3-yl]-2-(trifluoromethyl)benzamide
CID 168269349
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-pyridin-3-ylbenzamide
CID 882953

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-carboxamide?
The IUPAC name of 4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-carboxamide (CID 58495776) is 4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-carboxamide.
What is the SMILES notation for 4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-carboxamide?
The canonical SMILES for 4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-carboxamide is COCC1CN(c2cncc3ccc(C(N)=O)cc23)CCN1c1ccccc1.
What is the InChIKey of 4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-carboxamide?
The InChIKey is MZLIFVNTWFZFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-28-15-19-14-25(9-10-26(19)18-5-3-2-4-6-18)21-13-24-12-17-8-7-16(22(23)27)11-20(17)21/h2-8,11-13,19H,9-10,14-15H2,1H3,(H2,23,27).
What are the key properties of 4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-carboxamide?
4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-carboxamide is sourced from PubChem (CID 58495776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).