8-(3H-benzimidazol-5-yloxy)-N-(1H-indazol-6-yl)quinazolin-2-amine

C22H15N7O — CID 78210195

IUPAC8-(3H-benzimidazol-5-yloxy)-N-(1H-indazol-6-yl)quinazolin-2-amine
SMILESc1cc(Oc2ccc3nc[nH]c3c2)c2nc(Nc3ccc4cn[nH]c4c3)ncc2c1
InChIInChI=1S/C22H15N7O/c1-2-14-10-23-22(27-15-5-4-13-11-26-29-18(13)8-15)28-21(14)20(3-1)30-16-6-7-17-19(9-16)25-12-24-17/h1-12H,(H,24,25)(H,26,29)(H,23,27,28)
InChIKeyPVBNFLPLWHJIGM-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.92
Rot. Bonds4

About 8-(3H-benzimidazol-5-yloxy)-N-(1H-indazol-6-yl)quinazolin-2-amine

8-(3H-benzimidazol-5-yloxy)-N-(1H-indazol-6-yl)quinazolin-2-amine (PubChem CID 78210195) has the molecular formula C22H15N7O and a molecular weight of 393.41 g/mol. Its IUPAC name is 8-(3H-benzimidazol-5-yloxy)-N-(1H-indazol-6-yl)quinazolin-2-amine.

Molecular Properties

Compound Name8-(3H-benzimidazol-5-yloxy)-N-(1H-indazol-6-yl)quinazolin-2-amine
PubChem CID78210195
Molecular FormulaC22H15N7O
Molecular Weight393.41 g/mol
Exact Mass393.13
IUPAC Name8-(3H-benzimidazol-5-yloxy)-N-(1H-indazol-6-yl)quinazolin-2-amine
SMILESc1cc(Oc2ccc3nc[nH]c3c2)c2nc(Nc3ccc4cn[nH]c4c3)ncc2c1
InChIInChI=1S/C22H15N7O/c1-2-14-10-23-22(27-15-5-4-13-11-26-29-18(13)8-15)28-21(14)20(3-1)30-16-6-7-17-19(9-16)25-12-24-17/h1-12H,(H,24,25)(H,26,29)(H,23,27,28)
InChIKeyPVBNFLPLWHJIGM-UHFFFAOYSA-N
XLogP4.92
TPSA104.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 8-(3H-benzimidazol-5-yloxy)-N-(1H-indazol-6-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 8-(3H-benzimidazol-5-yloxy)-N-(1H-indazol-6-yl)quinazolin-2-amine?
The IUPAC name of 8-(3H-benzimidazol-5-yloxy)-N-(1H-indazol-6-yl)quinazolin-2-amine (CID 78210195) is 8-(3H-benzimidazol-5-yloxy)-N-(1H-indazol-6-yl)quinazolin-2-amine.
What is the SMILES notation for 8-(3H-benzimidazol-5-yloxy)-N-(1H-indazol-6-yl)quinazolin-2-amine?
The canonical SMILES for 8-(3H-benzimidazol-5-yloxy)-N-(1H-indazol-6-yl)quinazolin-2-amine is c1cc(Oc2ccc3nc[nH]c3c2)c2nc(Nc3ccc4cn[nH]c4c3)ncc2c1.
What is the InChIKey of 8-(3H-benzimidazol-5-yloxy)-N-(1H-indazol-6-yl)quinazolin-2-amine?
The InChIKey is PVBNFLPLWHJIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N7O/c1-2-14-10-23-22(27-15-5-4-13-11-26-29-18(13)8-15)28-21(14)20(3-1)30-16-6-7-17-19(9-16)25-12-24-17/h1-12H,(H,24,25)(H,26,29)(H,23,27,28).
What are the key properties of 8-(3H-benzimidazol-5-yloxy)-N-(1H-indazol-6-yl)quinazolin-2-amine?
8-(3H-benzimidazol-5-yloxy)-N-(1H-indazol-6-yl)quinazolin-2-amine has a molecular weight of 393.41 g/mol, XLogP of 4.92, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3H-benzimidazol-5-yloxy)-N-(1H-indazol-6-yl)quinazolin-2-amine is sourced from PubChem (CID 78210195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).