4-(6-methoxyquinazolin-4-yl)-7-(2-methyl-3H-benzimidazol-5-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine

C26H24N6O — CID 123440930

IUPAC4-(6-methoxyquinazolin-4-yl)-7-(2-methyl-3H-benzimidazol-5-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine
SMILESCOc1ccc2ncnc(N3CCNc4ccc(-c5ccc6nc(C)[nH]c6c5)cc4C3)c2c1
InChIInChI=1S/C26H24N6O/c1-16-30-24-7-4-18(12-25(24)31-16)17-3-6-22-19(11-17)14-32(10-9-27-22)26-21-13-20(33-2)5-8-23(21)28-15-29-26/h3-8,11-13,15,27H,9-10,14H2,1-2H3,(H,30,31)
InChIKeyISFJEOXYYRBUDI-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.92
Rot. Bonds3

About 4-(6-methoxyquinazolin-4-yl)-7-(2-methyl-3H-benzimidazol-5-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine

4-(6-methoxyquinazolin-4-yl)-7-(2-methyl-3H-benzimidazol-5-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine (PubChem CID 123440930) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is 4-(6-methoxyquinazolin-4-yl)-7-(2-methyl-3H-benzimidazol-5-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine.

Molecular Properties

Compound Name4-(6-methoxyquinazolin-4-yl)-7-(2-methyl-3H-benzimidazol-5-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine
PubChem CID123440930
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC Name4-(6-methoxyquinazolin-4-yl)-7-(2-methyl-3H-benzimidazol-5-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine
SMILESCOc1ccc2ncnc(N3CCNc4ccc(-c5ccc6nc(C)[nH]c6c5)cc4C3)c2c1
InChIInChI=1S/C26H24N6O/c1-16-30-24-7-4-18(12-25(24)31-16)17-3-6-22-19(11-17)14-32(10-9-27-22)26-21-13-20(33-2)5-8-23(21)28-15-29-26/h3-8,11-13,15,27H,9-10,14H2,1-2H3,(H,30,31)
InChIKeyISFJEOXYYRBUDI-UHFFFAOYSA-N
XLogP4.92
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6-methoxyquinazolin-4-yl)-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 59586416
4-(6-bromo-7-chloroquinazolin-4-yl)-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 59586378
4-(8-methoxy-7-phenylmethoxyquinazolin-4-yl)-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 59586620
4-[5-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 59586409
4-(azepan-1-yl)-6-methoxyquinazoline
CID 21002922
4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline
CID 22031947
4-[6-(5-methoxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one
CID 90398510
4-(azepan-1-yl)-7-methoxyquinazoline
CID 110433303
6-bromo-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinazoline
CID 87020711
7-methoxy-3-(6-methylsulfanylquinazolin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 167803937
1-(6-methoxyquinazolin-4-yl)piperidine-4-carboxamide
CID 21002803
7-methoxy-1-piperazin-1-ylisoquinoline
CID 23155836

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxyquinazolin-4-yl)-7-(2-methyl-3H-benzimidazol-5-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine?
The IUPAC name of 4-(6-methoxyquinazolin-4-yl)-7-(2-methyl-3H-benzimidazol-5-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine (CID 123440930) is 4-(6-methoxyquinazolin-4-yl)-7-(2-methyl-3H-benzimidazol-5-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine.
What is the SMILES notation for 4-(6-methoxyquinazolin-4-yl)-7-(2-methyl-3H-benzimidazol-5-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine?
The canonical SMILES for 4-(6-methoxyquinazolin-4-yl)-7-(2-methyl-3H-benzimidazol-5-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine is COc1ccc2ncnc(N3CCNc4ccc(-c5ccc6nc(C)[nH]c6c5)cc4C3)c2c1.
What is the InChIKey of 4-(6-methoxyquinazolin-4-yl)-7-(2-methyl-3H-benzimidazol-5-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine?
The InChIKey is ISFJEOXYYRBUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O/c1-16-30-24-7-4-18(12-25(24)31-16)17-3-6-22-19(11-17)14-32(10-9-27-22)26-21-13-20(33-2)5-8-23(21)28-15-29-26/h3-8,11-13,15,27H,9-10,14H2,1-2H3,(H,30,31).
What are the key properties of 4-(6-methoxyquinazolin-4-yl)-7-(2-methyl-3H-benzimidazol-5-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine?
4-(6-methoxyquinazolin-4-yl)-7-(2-methyl-3H-benzimidazol-5-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine has a molecular weight of 436.52 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxyquinazolin-4-yl)-7-(2-methyl-3H-benzimidazol-5-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine is sourced from PubChem (CID 123440930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).