2-(3,5-dichloroanilino)-8-hydroxy-3H-quinazolin-4-one

C14H9Cl2N3O2 — CID 162391500

IUPAC2-(3,5-dichloroanilino)-8-hydroxy-3H-quinazolin-4-one
SMILESO=c1[nH]c(Nc2cc(Cl)cc(Cl)c2)nc2c(O)cccc12
InChIInChI=1S/C14H9Cl2N3O2/c15-7-4-8(16)6-9(5-7)17-14-18-12-10(13(21)19-14)2-1-3-11(12)20/h1-6,20H,(H2,17,18,19,21)
InChIKeyHIPPKMHXGHHKLC-UHFFFAOYSA-N
MW322.15 g/mol
LogP3.68
Rot. Bonds2

About 2-(3,5-dichloroanilino)-8-hydroxy-3H-quinazolin-4-one

2-(3,5-dichloroanilino)-8-hydroxy-3H-quinazolin-4-one (PubChem CID 162391500) has the molecular formula C14H9Cl2N3O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 2-(3,5-dichloroanilino)-8-hydroxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3,5-dichloroanilino)-8-hydroxy-3H-quinazolin-4-one
PubChem CID162391500
Molecular FormulaC14H9Cl2N3O2
Molecular Weight322.15 g/mol
Exact Mass321.01
IUPAC Name2-(3,5-dichloroanilino)-8-hydroxy-3H-quinazolin-4-one
SMILESO=c1[nH]c(Nc2cc(Cl)cc(Cl)c2)nc2c(O)cccc12
InChIInChI=1S/C14H9Cl2N3O2/c15-7-4-8(16)6-9(5-7)17-14-18-12-10(13(21)19-14)2-1-3-11(12)20/h1-6,20H,(H2,17,18,19,21)
InChIKeyHIPPKMHXGHHKLC-UHFFFAOYSA-N
XLogP3.68
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dichloroanilino)-8-hydroxy-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

Related Compounds

8-chloro-2-(3,5-dimethoxyanilino)-3H-quinazolin-4-one
CID 162391518
7,8-dichloro-2-(3,4-dichloroanilino)-3H-quinazolin-4-one
CID 162391536
2-(3,5-dichloroanilino)-1,7-dihydropurin-6-one
CID 135410329
2-(3-methylsulfanylanilino)-3H-quinazolin-4-one
CID 136779337
3-(3,5-dichloroanilino)-6-phenyl-4H-1,2,4-triazin-5-one
CID 135561276
2-(3,5-dimethylanilino)-3H-quinazolin-4-one
CID 135439663
6-chloro-2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135430600
3-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
CID 175916852
6-amino-2-(4-chloroanilino)-3H-quinazolin-4-one
CID 136808617
8-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one
CID 135456915
N-(8-bromo-4-oxo-3H-quinazolin-2-yl)acetamide
CID 135742304
(E)-3-(8-hydroxy-4-oxo-3H-quinazolin-2-yl)prop-2-enoic acid
CID 177042284

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloroanilino)-8-hydroxy-3H-quinazolin-4-one?
The IUPAC name of 2-(3,5-dichloroanilino)-8-hydroxy-3H-quinazolin-4-one (CID 162391500) is 2-(3,5-dichloroanilino)-8-hydroxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3,5-dichloroanilino)-8-hydroxy-3H-quinazolin-4-one?
The canonical SMILES for 2-(3,5-dichloroanilino)-8-hydroxy-3H-quinazolin-4-one is O=c1[nH]c(Nc2cc(Cl)cc(Cl)c2)nc2c(O)cccc12.
What is the InChIKey of 2-(3,5-dichloroanilino)-8-hydroxy-3H-quinazolin-4-one?
The InChIKey is HIPPKMHXGHHKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O2/c15-7-4-8(16)6-9(5-7)17-14-18-12-10(13(21)19-14)2-1-3-11(12)20/h1-6,20H,(H2,17,18,19,21).
What are the key properties of 2-(3,5-dichloroanilino)-8-hydroxy-3H-quinazolin-4-one?
2-(3,5-dichloroanilino)-8-hydroxy-3H-quinazolin-4-one has a molecular weight of 322.15 g/mol, XLogP of 3.68, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloroanilino)-8-hydroxy-3H-quinazolin-4-one is sourced from PubChem (CID 162391500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).