N-(2-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide

C21H21N3O2 — CID 46360327

IUPACN-(2-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide
SMILESCc1ccccc1NC(=O)c1cnc(N2CCOCC2)c2ccccc12
InChIInChI=1S/C21H21N3O2/c1-15-6-2-5-9-19(15)23-21(25)18-14-22-20(24-10-12-26-13-11-24)17-8-4-3-7-16(17)18/h2-9,14H,10-13H2,1H3,(H,23,25)
InChIKeyPAQQJBXEIAPLRF-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.63
Rot. Bonds3

About N-(2-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide

N-(2-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide (PubChem CID 46360327) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(2-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide
PubChem CID46360327
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(2-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide
SMILESCc1ccccc1NC(=O)c1cnc(N2CCOCC2)c2ccccc12
InChIInChI=1S/C21H21N3O2/c1-15-6-2-5-9-19(15)23-21(25)18-14-22-20(24-10-12-26-13-11-24)17-8-4-3-7-16(17)18/h2-9,14H,10-13H2,1H3,(H,23,25)
InChIKeyPAQQJBXEIAPLRF-UHFFFAOYSA-N
XLogP3.63
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methylphenyl)-1-morpholin-4-ylisoquinoline-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-(4-ethoxyphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide
CID 46360297
N-(4-chloro-2-methylphenyl)-1-piperidin-1-ylisoquinoline-4-carboxamide
CID 46360413
ethyl 3-[(1-morpholin-4-ylisoquinoline-4-carbonyl)amino]benzoate
CID 46360319
morpholin-4-yl-(1-morpholin-4-ylisoquinolin-4-yl)methanone
CID 46360302
1-(1,4-oxazepan-4-yl)isoquinoline-4-carboxylic acid
CID 106766993
N-(2-methylphenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide
CID 22425713
N-(2-methylphenyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196384
N-(2-methylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228626
2-morpholin-4-yl-N-naphthalen-1-ylpyridine-3-carboxamide
CID 34000334
N-(3-methylphenyl)-1-piperidin-1-ylisoquinoline-4-carboxamide
CID 46360419
N-(2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 55623858
2-morpholin-4-yl-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 84576378

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide?
The IUPAC name of N-(2-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide (CID 46360327) is N-(2-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide is Cc1ccccc1NC(=O)c1cnc(N2CCOCC2)c2ccccc12.
What is the InChIKey of N-(2-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide?
The InChIKey is PAQQJBXEIAPLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15-6-2-5-9-19(15)23-21(25)18-14-22-20(24-10-12-26-13-11-24)17-8-4-3-7-16(17)18/h2-9,14H,10-13H2,1H3,(H,23,25).
What are the key properties of N-(2-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide?
N-(2-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide is sourced from PubChem (CID 46360327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).