6,7-dimethoxy-N-(2-phenyl-3H-benzimidazol-5-yl)quinazolin-4-amine;hydrochloride

C23H20ClN5O2 — CID 44530989

IUPAC6,7-dimethoxy-N-(2-phenyl-3H-benzimidazol-5-yl)quinazolin-4-amine;hydrochloride
SMILESCOc1cc2ncnc(Nc3ccc4nc(-c5ccccc5)[nH]c4c3)c2cc1OC.Cl
InChIInChI=1S/C23H19N5O2.ClH/c1-29-20-11-16-18(12-21(20)30-2)24-13-25-23(16)26-15-8-9-17-19(10-15)28-22(27-17)14-6-4-3-5-7-14;/h3-13H,1-2H3,(H,27,28)(H,24,25,26);1H
InChIKeyZYIOYZUEPAKERD-UHFFFAOYSA-N
MW433.90 g/mol
LogP5.36
Rot. Bonds5

About 6,7-dimethoxy-N-(2-phenyl-3H-benzimidazol-5-yl)quinazolin-4-amine;hydrochloride

6,7-dimethoxy-N-(2-phenyl-3H-benzimidazol-5-yl)quinazolin-4-amine;hydrochloride (PubChem CID 44530989) has the molecular formula C23H20ClN5O2 and a molecular weight of 433.90 g/mol. Its IUPAC name is 6,7-dimethoxy-N-(2-phenyl-3H-benzimidazol-5-yl)quinazolin-4-amine;hydrochloride.

Molecular Properties

Compound Name6,7-dimethoxy-N-(2-phenyl-3H-benzimidazol-5-yl)quinazolin-4-amine;hydrochloride
PubChem CID44530989
Molecular FormulaC23H20ClN5O2
Molecular Weight433.90 g/mol
Exact Mass433.13
IUPAC Name6,7-dimethoxy-N-(2-phenyl-3H-benzimidazol-5-yl)quinazolin-4-amine;hydrochloride
SMILESCOc1cc2ncnc(Nc3ccc4nc(-c5ccccc5)[nH]c4c3)c2cc1OC.Cl
InChIInChI=1S/C23H19N5O2.ClH/c1-29-20-11-16-18(12-21(20)30-2)24-13-25-23(16)26-15-8-9-17-19(10-15)28-22(27-17)14-6-4-3-5-7-14;/h3-13H,1-2H3,(H,27,28)(H,24,25,26);1H
InChIKeyZYIOYZUEPAKERD-UHFFFAOYSA-N
XLogP5.36
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.90
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-(2-phenyl-3H-benzimidazol-5-yl)quinazolin-4-amine;hydrochloride?
The IUPAC name of 6,7-dimethoxy-N-(2-phenyl-3H-benzimidazol-5-yl)quinazolin-4-amine;hydrochloride (CID 44530989) is 6,7-dimethoxy-N-(2-phenyl-3H-benzimidazol-5-yl)quinazolin-4-amine;hydrochloride.
What is the SMILES notation for 6,7-dimethoxy-N-(2-phenyl-3H-benzimidazol-5-yl)quinazolin-4-amine;hydrochloride?
The canonical SMILES for 6,7-dimethoxy-N-(2-phenyl-3H-benzimidazol-5-yl)quinazolin-4-amine;hydrochloride is COc1cc2ncnc(Nc3ccc4nc(-c5ccccc5)[nH]c4c3)c2cc1OC.Cl.
What is the InChIKey of 6,7-dimethoxy-N-(2-phenyl-3H-benzimidazol-5-yl)quinazolin-4-amine;hydrochloride?
The InChIKey is ZYIOYZUEPAKERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2.ClH/c1-29-20-11-16-18(12-21(20)30-2)24-13-25-23(16)26-15-8-9-17-19(10-15)28-22(27-17)14-6-4-3-5-7-14;/h3-13H,1-2H3,(H,27,28)(H,24,25,26);1H.
What are the key properties of 6,7-dimethoxy-N-(2-phenyl-3H-benzimidazol-5-yl)quinazolin-4-amine;hydrochloride?
6,7-dimethoxy-N-(2-phenyl-3H-benzimidazol-5-yl)quinazolin-4-amine;hydrochloride has a molecular weight of 433.90 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-(2-phenyl-3H-benzimidazol-5-yl)quinazolin-4-amine;hydrochloride is sourced from PubChem (CID 44530989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).