2-(3-hydroxy-1-phenylcyclobutyl)-3H-quinazolin-4-one

C18H16N2O2 — CID 136505402

IUPAC2-(3-hydroxy-1-phenylcyclobutyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(C2(c3ccccc3)CC(O)C2)nc2ccccc12
InChIInChI=1S/C18H16N2O2/c21-13-10-18(11-13,12-6-2-1-3-7-12)17-19-15-9-5-4-8-14(15)16(22)20-17/h1-9,13,21H,10-11H2,(H,19,20,22)
InChIKeyGYOVKPRSCLFOSJ-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.36
Rot. Bonds2

About 2-(3-hydroxy-1-phenylcyclobutyl)-3H-quinazolin-4-one

2-(3-hydroxy-1-phenylcyclobutyl)-3H-quinazolin-4-one (PubChem CID 136505402) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(3-hydroxy-1-phenylcyclobutyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3-hydroxy-1-phenylcyclobutyl)-3H-quinazolin-4-one
PubChem CID136505402
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-(3-hydroxy-1-phenylcyclobutyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(C2(c3ccccc3)CC(O)C2)nc2ccccc12
InChIInChI=1S/C18H16N2O2/c21-13-10-18(11-13,12-6-2-1-3-7-12)17-19-15-9-5-4-8-14(15)16(22)20-17/h1-9,13,21H,10-11H2,(H,19,20,22)
InChIKeyGYOVKPRSCLFOSJ-UHFFFAOYSA-N
XLogP2.36
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-[(3S,5R)-5-hydroxypiperidin-3-yl]-3H-quinazolin-4-one
CID 137230518
4-hydroxy-5-iodo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one
CID 66284571
2-[(4-hydroxycyclohexyl)sulfanylmethyl]-3H-quinazolin-4-one
CID 175701929
4-(2-hydroxyspiro[3.3]heptan-6-yl)-2H-phthalazin-1-one
CID 118661389
4-(1H-benzimidazol-2-yl)-4-phenylpiperidine-1-carboxylic acid
CID 22240874
2,2-dimethyl-3-(4-oxo-3H-quinazolin-2-yl)cyclopropane-1-carboxylic acid
CID 135636624
2-[[2,2-dimethyl-3-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclobutyl]methyl]-3H-quinazolin-4-one
CID 137187410
2-[1-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136912907
2-(1-bromoethenyl)-3H-quinazolin-4-one
CID 136903471
2-(1-chloroethenyl)-3H-quinazolin-4-one
CID 136903470
2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696239

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-1-phenylcyclobutyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(3-hydroxy-1-phenylcyclobutyl)-3H-quinazolin-4-one (CID 136505402) is 2-(3-hydroxy-1-phenylcyclobutyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3-hydroxy-1-phenylcyclobutyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(3-hydroxy-1-phenylcyclobutyl)-3H-quinazolin-4-one is O=c1[nH]c(C2(c3ccccc3)CC(O)C2)nc2ccccc12.
What is the InChIKey of 2-(3-hydroxy-1-phenylcyclobutyl)-3H-quinazolin-4-one?
The InChIKey is GYOVKPRSCLFOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-13-10-18(11-13,12-6-2-1-3-7-12)17-19-15-9-5-4-8-14(15)16(22)20-17/h1-9,13,21H,10-11H2,(H,19,20,22).
What are the key properties of 2-(3-hydroxy-1-phenylcyclobutyl)-3H-quinazolin-4-one?
2-(3-hydroxy-1-phenylcyclobutyl)-3H-quinazolin-4-one has a molecular weight of 292.34 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-1-phenylcyclobutyl)-3H-quinazolin-4-one is sourced from PubChem (CID 136505402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).