2-(1H-indol-4-yl)-3H-quinazolin-4-one

C16H11N3O — CID 168550804

IUPAC2-(1H-indol-4-yl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cccc3[nH]ccc23)nc2ccccc12
InChIInChI=1S/C16H11N3O/c20-16-12-4-1-2-6-14(12)18-15(19-16)11-5-3-7-13-10(11)8-9-17-13/h1-9,17H,(H,18,19,20)
InChIKeyKUKRFZZEAKRSAA-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.07
Rot. Bonds1

About 2-(1H-indol-4-yl)-3H-quinazolin-4-one

2-(1H-indol-4-yl)-3H-quinazolin-4-one (PubChem CID 168550804) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(1H-indol-4-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(1H-indol-4-yl)-3H-quinazolin-4-one
PubChem CID168550804
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name2-(1H-indol-4-yl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cccc3[nH]ccc23)nc2ccccc12
InChIInChI=1S/C16H11N3O/c20-16-12-4-1-2-6-14(12)18-15(19-16)11-5-3-7-13-10(11)8-9-17-13/h1-9,17H,(H,18,19,20)
InChIKeyKUKRFZZEAKRSAA-UHFFFAOYSA-N
XLogP3.07
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(1H-indol-4-yl)-3H-quinazolin-4-one 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 2-(1H-indol-4-yl)-3H-quinazolin-4-one?
The IUPAC name of 2-(1H-indol-4-yl)-3H-quinazolin-4-one (CID 168550804) is 2-(1H-indol-4-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(1H-indol-4-yl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(1H-indol-4-yl)-3H-quinazolin-4-one is O=c1[nH]c(-c2cccc3[nH]ccc23)nc2ccccc12.
What is the InChIKey of 2-(1H-indol-4-yl)-3H-quinazolin-4-one?
The InChIKey is KUKRFZZEAKRSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c20-16-12-4-1-2-6-14(12)18-15(19-16)11-5-3-7-13-10(11)8-9-17-13/h1-9,17H,(H,18,19,20).
What are the key properties of 2-(1H-indol-4-yl)-3H-quinazolin-4-one?
2-(1H-indol-4-yl)-3H-quinazolin-4-one has a molecular weight of 261.28 g/mol, XLogP of 3.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-4-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 168550804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).