5,7-dichloro-8-hydroxy-3-(1H-pyrazol-5-yl)quinazolin-4-one

C11H6Cl2N4O2 — CID 23651812

IUPAC5,7-dichloro-8-hydroxy-3-(1H-pyrazol-5-yl)quinazolin-4-one
SMILESO=c1c2c(Cl)cc(Cl)c(O)c2ncn1-c1ccn[nH]1
InChIInChI=1S/C11H6Cl2N4O2/c12-5-3-6(13)10(18)9-8(5)11(19)17(4-14-9)7-1-2-15-16-7/h1-4,18H,(H,15,16)
InChIKeyQKYWRQMEPSLGHN-UHFFFAOYSA-N
MW297.10 g/mol
LogP2.12
Rot. Bonds1

About 5,7-dichloro-8-hydroxy-3-(1H-pyrazol-5-yl)quinazolin-4-one

5,7-dichloro-8-hydroxy-3-(1H-pyrazol-5-yl)quinazolin-4-one (PubChem CID 23651812) has the molecular formula C11H6Cl2N4O2 and a molecular weight of 297.10 g/mol. Its IUPAC name is 5,7-dichloro-8-hydroxy-3-(1H-pyrazol-5-yl)quinazolin-4-one.

Molecular Properties

Compound Name5,7-dichloro-8-hydroxy-3-(1H-pyrazol-5-yl)quinazolin-4-one
PubChem CID23651812
Molecular FormulaC11H6Cl2N4O2
Molecular Weight297.10 g/mol
Exact Mass295.99
IUPAC Name5,7-dichloro-8-hydroxy-3-(1H-pyrazol-5-yl)quinazolin-4-one
SMILESO=c1c2c(Cl)cc(Cl)c(O)c2ncn1-c1ccn[nH]1
InChIInChI=1S/C11H6Cl2N4O2/c12-5-3-6(13)10(18)9-8(5)11(19)17(4-14-9)7-1-2-15-16-7/h1-4,18H,(H,15,16)
InChIKeyQKYWRQMEPSLGHN-UHFFFAOYSA-N
XLogP2.12
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.10
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5,7-dichloro-8-hydroxy-3-(1H-pyrazol-5-yl)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 5,7-dichloro-8-hydroxy-3-(1H-pyrazol-5-yl)quinazolin-4-one?
The IUPAC name of 5,7-dichloro-8-hydroxy-3-(1H-pyrazol-5-yl)quinazolin-4-one (CID 23651812) is 5,7-dichloro-8-hydroxy-3-(1H-pyrazol-5-yl)quinazolin-4-one.
What is the SMILES notation for 5,7-dichloro-8-hydroxy-3-(1H-pyrazol-5-yl)quinazolin-4-one?
The canonical SMILES for 5,7-dichloro-8-hydroxy-3-(1H-pyrazol-5-yl)quinazolin-4-one is O=c1c2c(Cl)cc(Cl)c(O)c2ncn1-c1ccn[nH]1.
What is the InChIKey of 5,7-dichloro-8-hydroxy-3-(1H-pyrazol-5-yl)quinazolin-4-one?
The InChIKey is QKYWRQMEPSLGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N4O2/c12-5-3-6(13)10(18)9-8(5)11(19)17(4-14-9)7-1-2-15-16-7/h1-4,18H,(H,15,16).
What are the key properties of 5,7-dichloro-8-hydroxy-3-(1H-pyrazol-5-yl)quinazolin-4-one?
5,7-dichloro-8-hydroxy-3-(1H-pyrazol-5-yl)quinazolin-4-one has a molecular weight of 297.10 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-8-hydroxy-3-(1H-pyrazol-5-yl)quinazolin-4-one is sourced from PubChem (CID 23651812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).