2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide

C22H21N7O — CID 138588919

IUPAC2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
SMILESCN1CCc2cc(C(=O)Nc3cc4cc(-c5cn(C)nn5)ccc4nn3)ccc2C1
InChIInChI=1S/C22H21N7O/c1-28-8-7-14-9-16(3-4-17(14)12-28)22(30)23-21-11-18-10-15(5-6-19(18)24-26-21)20-13-29(2)27-25-20/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,23,26,30)
InChIKeyAOAPROFHJAYMBZ-UHFFFAOYSA-N
MW399.46 g/mol
LogP2.67
Rot. Bonds3

About 2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide

2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide (PubChem CID 138588919) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is 2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
PubChem CID138588919
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
SMILESCN1CCc2cc(C(=O)Nc3cc4cc(-c5cn(C)nn5)ccc4nn3)ccc2C1
InChIInChI=1S/C22H21N7O/c1-28-8-7-14-9-16(3-4-17(14)12-28)22(30)23-21-11-18-10-15(5-6-19(18)24-26-21)20-13-29(2)27-25-20/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,23,26,30)
InChIKeyAOAPROFHJAYMBZ-UHFFFAOYSA-N
XLogP2.67
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-3,4-dihydro-1H-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

2-[4,4-bis(trideuteriomethyl)piperazin-4-ium-1-yl]-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138589569
1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone
CID 147729876
2-fluoro-2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]propanamide
CID 138589575
1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
CID 159367015
N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide
CID 138586977
2-(4-methyl-1,4-diazepan-1-yl)-N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
CID 138586731
2-methyl-6-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138590175
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1,3-benzothiazole-5-carboxamide
CID 138589377
1-(1-methylpiperidin-4-yl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)cinnolin-3-yl]pyrazole-4-carboxamide
CID 138587454
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138589499
2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138590328
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]ethanone
CID 147183577

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide?
The IUPAC name of 2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide (CID 138588919) is 2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide.
What is the SMILES notation for 2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide?
The canonical SMILES for 2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide is CN1CCc2cc(C(=O)Nc3cc4cc(-c5cn(C)nn5)ccc4nn3)ccc2C1.
What is the InChIKey of 2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide?
The InChIKey is AOAPROFHJAYMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c1-28-8-7-14-9-16(3-4-17(14)12-28)22(30)23-21-11-18-10-15(5-6-19(18)24-26-21)20-13-29(2)27-25-20/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,23,26,30).
What are the key properties of 2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide?
2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide has a molecular weight of 399.46 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide is sourced from PubChem (CID 138588919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).