6-[1-(2-hydroxyethyl)-3-pyridin-4-ylpyrazol-4-yl]-3H-quinazolin-4-one

C18H15N5O2 — CID 135520113

IUPAC6-[1-(2-hydroxyethyl)-3-pyridin-4-ylpyrazol-4-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2ccc(-c3cn(CCO)nc3-c3ccncc3)cc12
InChIInChI=1S/C18H15N5O2/c24-8-7-23-10-15(17(22-23)12-3-5-19-6-4-12)13-1-2-16-14(9-13)18(25)21-11-20-16/h1-6,9-11,24H,7-8H2,(H,20,21,25)
InChIKeyCUMVKNXOPPUONI-UHFFFAOYSA-N
MW333.35 g/mol
LogP1.84
Rot. Bonds4

About 6-[1-(2-hydroxyethyl)-3-pyridin-4-ylpyrazol-4-yl]-3H-quinazolin-4-one

6-[1-(2-hydroxyethyl)-3-pyridin-4-ylpyrazol-4-yl]-3H-quinazolin-4-one (PubChem CID 135520113) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 6-[1-(2-hydroxyethyl)-3-pyridin-4-ylpyrazol-4-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-[1-(2-hydroxyethyl)-3-pyridin-4-ylpyrazol-4-yl]-3H-quinazolin-4-one
PubChem CID135520113
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name6-[1-(2-hydroxyethyl)-3-pyridin-4-ylpyrazol-4-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2ccc(-c3cn(CCO)nc3-c3ccncc3)cc12
InChIInChI=1S/C18H15N5O2/c24-8-7-23-10-15(17(22-23)12-3-5-19-6-4-12)13-1-2-16-14(9-13)18(25)21-11-20-16/h1-6,9-11,24H,7-8H2,(H,20,21,25)
InChIKeyCUMVKNXOPPUONI-UHFFFAOYSA-N
XLogP1.84
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[1-(2-hydroxyethyl)-3-pyridin-4-ylpyrazol-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 6-[1-(2-hydroxyethyl)-3-pyridin-4-ylpyrazol-4-yl]-3H-quinazolin-4-one?
The IUPAC name of 6-[1-(2-hydroxyethyl)-3-pyridin-4-ylpyrazol-4-yl]-3H-quinazolin-4-one (CID 135520113) is 6-[1-(2-hydroxyethyl)-3-pyridin-4-ylpyrazol-4-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 6-[1-(2-hydroxyethyl)-3-pyridin-4-ylpyrazol-4-yl]-3H-quinazolin-4-one?
The canonical SMILES for 6-[1-(2-hydroxyethyl)-3-pyridin-4-ylpyrazol-4-yl]-3H-quinazolin-4-one is O=c1[nH]cnc2ccc(-c3cn(CCO)nc3-c3ccncc3)cc12.
What is the InChIKey of 6-[1-(2-hydroxyethyl)-3-pyridin-4-ylpyrazol-4-yl]-3H-quinazolin-4-one?
The InChIKey is CUMVKNXOPPUONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c24-8-7-23-10-15(17(22-23)12-3-5-19-6-4-12)13-1-2-16-14(9-13)18(25)21-11-20-16/h1-6,9-11,24H,7-8H2,(H,20,21,25).
What are the key properties of 6-[1-(2-hydroxyethyl)-3-pyridin-4-ylpyrazol-4-yl]-3H-quinazolin-4-one?
6-[1-(2-hydroxyethyl)-3-pyridin-4-ylpyrazol-4-yl]-3H-quinazolin-4-one has a molecular weight of 333.35 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-hydroxyethyl)-3-pyridin-4-ylpyrazol-4-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 135520113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).