3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]quinazolin-4-one

C17H16N2O3 — CID 110885190

IUPAC3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]quinazolin-4-one
SMILESCOc1cccc(C(O)Cn2cnc3ccccc3c2=O)c1
InChIInChI=1S/C17H16N2O3/c1-22-13-6-4-5-12(9-13)16(20)10-19-11-18-15-8-3-2-7-14(15)17(19)21/h2-9,11,16,20H,10H2,1H3
InChIKeyZQBFKPQTFPGFDT-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.14
Rot. Bonds4

About 3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]quinazolin-4-one

3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]quinazolin-4-one (PubChem CID 110885190) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]quinazolin-4-one
PubChem CID110885190
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]quinazolin-4-one
SMILESCOc1cccc(C(O)Cn2cnc3ccccc3c2=O)c1
InChIInChI=1S/C17H16N2O3/c1-22-13-6-4-5-12(9-13)16(20)10-19-11-18-15-8-3-2-7-14(15)17(19)21/h2-9,11,16,20H,10H2,1H3
InChIKeyZQBFKPQTFPGFDT-UHFFFAOYSA-N
XLogP2.14
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-2-hydroxy-2-phenylethyl]-6-methoxyquinazolin-4-one
CID 166385913
3-(2-hydroxy-2-phenylethyl)pyrido[3,4-d]pyrimidin-4-one
CID 45212891
7-chloro-3-(2-hydroxy-2-phenylethyl)quinazolin-4-one
CID 17407106
3-(3-amino-2-hydroxypropyl)quinazolin-4-one
CID 43212309
1-(3-methoxyphenyl)-2-(2-phenylimidazol-1-yl)ethanol
CID 110907755
5-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125128815
3-[2-[(3S)-4-(3-methoxyphenyl)-3-methyl-5-oxopiperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 42425075
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 51212553
6-(3-aminopiperidin-1-yl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-5-(3-methylbut-2-enyl)pyrrolo[3,2-d]pyrimidin-4-one
CID 163513342
1-(3-methoxyphenyl)-2-(6-pyrrolidin-1-ylpurin-9-yl)ethanol
CID 111795399
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
2-(1,3-dihydroisoindol-2-yl)-1-(3-methoxyphenyl)ethanol
CID 62231335

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]quinazolin-4-one?
The IUPAC name of 3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]quinazolin-4-one (CID 110885190) is 3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]quinazolin-4-one is COc1cccc(C(O)Cn2cnc3ccccc3c2=O)c1.
What is the InChIKey of 3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]quinazolin-4-one?
The InChIKey is ZQBFKPQTFPGFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-22-13-6-4-5-12(9-13)16(20)10-19-11-18-15-8-3-2-7-14(15)17(19)21/h2-9,11,16,20H,10H2,1H3.
What are the key properties of 3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]quinazolin-4-one?
3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]quinazolin-4-one has a molecular weight of 296.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]quinazolin-4-one is sourced from PubChem (CID 110885190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).