(2S)-2-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one

C13H14N4O2 — CID 842660

IUPAC(2S)-2-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one
SMILESCc1nn(C)cc1[C@H]1Nc2ccccc2C(=O)N1O
InChIInChI=1S/C13H14N4O2/c1-8-10(7-16(2)15-8)12-14-11-6-4-3-5-9(11)13(18)17(12)19/h3-7,12,14,19H,1-2H3/t12-/m0/s1
InChIKeyMMVRFYXAPFEVTA-LBPRGKRZSA-N
MW258.28 g/mol
LogP1.68
Rot. Bonds1

About (2S)-2-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one

(2S)-2-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one (PubChem CID 842660) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is (2S)-2-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one
PubChem CID842660
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name(2S)-2-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one
SMILESCc1nn(C)cc1[C@H]1Nc2ccccc2C(=O)N1O
InChIInChI=1S/C13H14N4O2/c1-8-10(7-16(2)15-8)12-14-11-6-4-3-5-9(11)13(18)17(12)19/h3-7,12,14,19H,1-2H3/t12-/m0/s1
InChIKeyMMVRFYXAPFEVTA-LBPRGKRZSA-N
XLogP1.68
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-2-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-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

(2R)-2-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one
CID 842662
(2S)-3-hydroxy-2-phenyl-1,2-dihydroquinazolin-4-one
CID 692260
3-hydroxy-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 4670743
3-hydroxy-2-(2-hydroxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 3245937
2-(furan-3-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one
CID 19577722
3-oxido-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one
CID 4744803
3-hydroxy-2-pyridin-1-ium-3-yl-1,2-dihydroquinazolin-4-one
CID 3447639
(2R)-3-hydroxy-2-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
CID 997735
3-methyl-2-(3-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one
CID 47117586
(2R)-2-(2-methylphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 40709314
3-hydroxy-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 2872744
(2R)-3-methyl-2-(5-methylfuran-2-yl)-1,2-dihydroquinazolin-4-one
CID 51466277

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-2-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one (CID 842660) is (2S)-2-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-2-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-2-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one is Cc1nn(C)cc1[C@H]1Nc2ccccc2C(=O)N1O.
What is the InChIKey of (2S)-2-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one?
The InChIKey is MMVRFYXAPFEVTA-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8-10(7-16(2)15-8)12-14-11-6-4-3-5-9(11)13(18)17(12)19/h3-7,12,14,19H,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-2-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one?
(2S)-2-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one has a molecular weight of 258.28 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 842660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).