11-(2-morpholin-4-ylethylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile

C22H25N5O — CID 646285

IUPAC11-(2-morpholin-4-ylethylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
SMILESN#Cc1c2c(c(NCCN3CCOCC3)n3c1nc1ccccc13)CCCC2
InChIInChI=1S/C22H25N5O/c23-15-18-16-5-1-2-6-17(16)21(24-9-10-26-11-13-28-14-12-26)27-20-8-4-3-7-19(20)25-22(18)27/h3-4,7-8,24H,1-2,5-6,9-14H2
InChIKeyJBUXEBPUQKICEF-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.98
Rot. Bonds4

About 11-(2-morpholin-4-ylethylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile

11-(2-morpholin-4-ylethylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile (PubChem CID 646285) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 11-(2-morpholin-4-ylethylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile.

Molecular Properties

Compound Name11-(2-morpholin-4-ylethylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
PubChem CID646285
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name11-(2-morpholin-4-ylethylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
SMILESN#Cc1c2c(c(NCCN3CCOCC3)n3c1nc1ccccc13)CCCC2
InChIInChI=1S/C22H25N5O/c23-15-18-16-5-1-2-6-17(16)21(24-9-10-26-11-13-28-14-12-26)27-20-8-4-3-7-19(20)25-22(18)27/h3-4,7-8,24H,1-2,5-6,9-14H2
InChIKeyJBUXEBPUQKICEF-UHFFFAOYSA-N
XLogP2.98
TPSA65.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 11-(2-morpholin-4-ylethylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile 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 11-(2-morpholin-4-ylethylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile?
The IUPAC name of 11-(2-morpholin-4-ylethylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile (CID 646285) is 11-(2-morpholin-4-ylethylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile.
What is the SMILES notation for 11-(2-morpholin-4-ylethylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile?
The canonical SMILES for 11-(2-morpholin-4-ylethylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile is N#Cc1c2c(c(NCCN3CCOCC3)n3c1nc1ccccc13)CCCC2.
What is the InChIKey of 11-(2-morpholin-4-ylethylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile?
The InChIKey is JBUXEBPUQKICEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c23-15-18-16-5-1-2-6-17(16)21(24-9-10-26-11-13-28-14-12-26)27-20-8-4-3-7-19(20)25-22(18)27/h3-4,7-8,24H,1-2,5-6,9-14H2.
What are the key properties of 11-(2-morpholin-4-ylethylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile?
11-(2-morpholin-4-ylethylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile has a molecular weight of 375.48 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-morpholin-4-ylethylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile is sourced from PubChem (CID 646285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).