2-(2-hydroxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C14H15N3O2 — CID 135611951

IUPAC2-(2-hydroxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(Nc2ccccc2O)nc2c1CCCC2
InChIInChI=1S/C14H15N3O2/c18-12-8-4-3-7-11(12)16-14-15-10-6-2-1-5-9(10)13(19)17-14/h3-4,7-8,18H,1-2,5-6H2,(H2,15,16,17,19)
InChIKeyFTDMOQQCAAGTKD-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.10
Rot. Bonds2

About 2-(2-hydroxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-(2-hydroxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 135611951) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(2-hydroxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-hydroxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID135611951
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-(2-hydroxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(Nc2ccccc2O)nc2c1CCCC2
InChIInChI=1S/C14H15N3O2/c18-12-8-4-3-7-11(12)16-14-15-10-6-2-1-5-9(10)13(19)17-14/h3-4,7-8,18H,1-2,5-6H2,(H2,15,16,17,19)
InChIKeyFTDMOQQCAAGTKD-UHFFFAOYSA-N
XLogP2.10
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2-(2-hydroxyanilino)-5,6,7,8-tetrahydro-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-(2-hydroxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-(2-hydroxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 135611951) is 2-(2-hydroxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-hydroxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-hydroxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is O=c1[nH]c(Nc2ccccc2O)nc2c1CCCC2.
What is the InChIKey of 2-(2-hydroxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is FTDMOQQCAAGTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-12-8-4-3-7-11(12)16-14-15-10-6-2-1-5-9(10)13(19)17-14/h3-4,7-8,18H,1-2,5-6H2,(H2,15,16,17,19).
What are the key properties of 2-(2-hydroxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-(2-hydroxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 257.29 g/mol, XLogP of 2.10, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 135611951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).