7-(2-amino-1H-benzimidazol-4-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine

C25H23N7O — CID 163290759

IUPAC7-(2-amino-1H-benzimidazol-4-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4cccc5[nH]c(N)nc45)cc3n1)CNCC2
InChIInChI=1S/C25H23N7O/c1-33-22-11-14-7-8-27-12-17(14)10-21(22)31-25-28-13-16-6-5-15(9-20(16)30-25)18-3-2-4-19-23(18)32-24(26)29-19/h2-6,9-11,13,27H,7-8,12H2,1H3,(H3,26,29,32)(H,28,30,31)
InChIKeyBLGTUFQUOQEVIF-UHFFFAOYSA-N
MW437.51 g/mol
LogP4.15
Rot. Bonds4

About 7-(2-amino-1H-benzimidazol-4-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine

7-(2-amino-1H-benzimidazol-4-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine (PubChem CID 163290759) has the molecular formula C25H23N7O and a molecular weight of 437.51 g/mol. Its IUPAC name is 7-(2-amino-1H-benzimidazol-4-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine.

Molecular Properties

Compound Name7-(2-amino-1H-benzimidazol-4-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine
PubChem CID163290759
Molecular FormulaC25H23N7O
Molecular Weight437.51 g/mol
Exact Mass437.20
IUPAC Name7-(2-amino-1H-benzimidazol-4-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4cccc5[nH]c(N)nc45)cc3n1)CNCC2
InChIInChI=1S/C25H23N7O/c1-33-22-11-14-7-8-27-12-17(14)10-21(22)31-25-28-13-16-6-5-15(9-20(16)30-25)18-3-2-4-19-23(18)32-24(26)29-19/h2-6,9-11,13,27H,7-8,12H2,1H3,(H3,26,29,32)(H,28,30,31)
InChIKeyBLGTUFQUOQEVIF-UHFFFAOYSA-N
XLogP4.15
TPSA113.77 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 54.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 7-(2-amino-1H-benzimidazol-4-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine 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 7-(2-amino-1H-benzimidazol-4-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine?
The IUPAC name of 7-(2-amino-1H-benzimidazol-4-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine (CID 163290759) is 7-(2-amino-1H-benzimidazol-4-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine.
What is the SMILES notation for 7-(2-amino-1H-benzimidazol-4-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine?
The canonical SMILES for 7-(2-amino-1H-benzimidazol-4-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine is COc1cc2c(cc1Nc1ncc3ccc(-c4cccc5[nH]c(N)nc45)cc3n1)CNCC2.
What is the InChIKey of 7-(2-amino-1H-benzimidazol-4-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine?
The InChIKey is BLGTUFQUOQEVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O/c1-33-22-11-14-7-8-27-12-17(14)10-21(22)31-25-28-13-16-6-5-15(9-20(16)30-25)18-3-2-4-19-23(18)32-24(26)29-19/h2-6,9-11,13,27H,7-8,12H2,1H3,(H3,26,29,32)(H,28,30,31).
What are the key properties of 7-(2-amino-1H-benzimidazol-4-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine?
7-(2-amino-1H-benzimidazol-4-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine has a molecular weight of 437.51 g/mol, XLogP of 4.15, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-1H-benzimidazol-4-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine is sourced from PubChem (CID 163290759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).