4-(2-hydroxy-3-phenylmethoxypropyl)-2-methylpyrazolo[1,5-a]quinazolin-5-one

C21H21N3O3 — CID 51112859

IUPAC4-(2-hydroxy-3-phenylmethoxypropyl)-2-methylpyrazolo[1,5-a]quinazolin-5-one
SMILESCc1cc2n(CC(O)COCc3ccccc3)c(=O)c3ccccc3n2n1
InChIInChI=1S/C21H21N3O3/c1-15-11-20-23(12-17(25)14-27-13-16-7-3-2-4-8-16)21(26)18-9-5-6-10-19(18)24(20)22-15/h2-11,17,25H,12-14H2,1H3
InChIKeyLEBZEGZKECMSTQ-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.54
Rot. Bonds6

About 4-(2-hydroxy-3-phenylmethoxypropyl)-2-methylpyrazolo[1,5-a]quinazolin-5-one

4-(2-hydroxy-3-phenylmethoxypropyl)-2-methylpyrazolo[1,5-a]quinazolin-5-one (PubChem CID 51112859) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-(2-hydroxy-3-phenylmethoxypropyl)-2-methylpyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name4-(2-hydroxy-3-phenylmethoxypropyl)-2-methylpyrazolo[1,5-a]quinazolin-5-one
PubChem CID51112859
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name4-(2-hydroxy-3-phenylmethoxypropyl)-2-methylpyrazolo[1,5-a]quinazolin-5-one
SMILESCc1cc2n(CC(O)COCc3ccccc3)c(=O)c3ccccc3n2n1
InChIInChI=1S/C21H21N3O3/c1-15-11-20-23(12-17(25)14-27-13-16-7-3-2-4-8-16)21(26)18-9-5-6-10-19(18)24(20)22-15/h2-11,17,25H,12-14H2,1H3
InChIKeyLEBZEGZKECMSTQ-UHFFFAOYSA-N
XLogP2.54
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]pyrazolo[1,5-a]quinazolin-5-one
CID 99827748
4-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one
CID 110884978
3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2-methylquinazolin-4-one
CID 42952061
4-(3-carbazol-9-yl-2-hydroxypropyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one
CID 42947268
4-(2,5-dimethylphenyl)-2-(2-hydroxy-3-phenylmethoxypropyl)phthalazin-1-one
CID 42942508
bis(1-(2,3-dihydroxypropyl)indazole-3-carboxylic acid);1-(2-hydroxy-3-phenylmethoxypropyl)indazole-3-carboxylic acid
CID 161358460
N-methyl-2-[[2-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-4-yl)methyl]quinazolin-4-yl]amino]acetamide
CID 122551894
1-(2-hydroxy-3-phenylmethoxypropyl)sulfanyl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 55410212
8-bromo-7-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-3-methylpurine-2,6-dione
CID 7007941
1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one
CID 95357977
4-(2,6-dimethylphenyl)-N,N-diethyl-1-(2-hydroxy-3-phenylmethoxypropyl)-5-methyl-6-oxopyridazine-3-carboxamide
CID 123401480
(2R)-1-(3-methylbenzimidazol-3-ium-1-yl)-3-phenylmethoxypropan-2-ol
CID 800596

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-3-phenylmethoxypropyl)-2-methylpyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 4-(2-hydroxy-3-phenylmethoxypropyl)-2-methylpyrazolo[1,5-a]quinazolin-5-one (CID 51112859) is 4-(2-hydroxy-3-phenylmethoxypropyl)-2-methylpyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 4-(2-hydroxy-3-phenylmethoxypropyl)-2-methylpyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 4-(2-hydroxy-3-phenylmethoxypropyl)-2-methylpyrazolo[1,5-a]quinazolin-5-one is Cc1cc2n(CC(O)COCc3ccccc3)c(=O)c3ccccc3n2n1.
What is the InChIKey of 4-(2-hydroxy-3-phenylmethoxypropyl)-2-methylpyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is LEBZEGZKECMSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-15-11-20-23(12-17(25)14-27-13-16-7-3-2-4-8-16)21(26)18-9-5-6-10-19(18)24(20)22-15/h2-11,17,25H,12-14H2,1H3.
What are the key properties of 4-(2-hydroxy-3-phenylmethoxypropyl)-2-methylpyrazolo[1,5-a]quinazolin-5-one?
4-(2-hydroxy-3-phenylmethoxypropyl)-2-methylpyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 363.42 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-3-phenylmethoxypropyl)-2-methylpyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 51112859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).