2-(2-hydroxyphenyl)-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinazolin-4-one

C22H24N2O2 — CID 135964374

IUPAC2-(2-hydroxyphenyl)-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinazolin-4-one
SMILESO=C1C2CCCCC2N=C(c2ccccc2O)N1CCc1ccccc1
InChIInChI=1S/C22H24N2O2/c25-20-13-7-5-11-18(20)21-23-19-12-6-4-10-17(19)22(26)24(21)15-14-16-8-2-1-3-9-16/h1-3,5,7-9,11,13,17,19,25H,4,6,10,12,14-15H2
InChIKeyCVVOQWRQKUEKTG-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.78
Rot. Bonds4

About 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinazolin-4-one

2-(2-hydroxyphenyl)-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinazolin-4-one (PubChem CID 135964374) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinazolin-4-one.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinazolin-4-one
PubChem CID135964374
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-(2-hydroxyphenyl)-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinazolin-4-one
SMILESO=C1C2CCCCC2N=C(c2ccccc2O)N1CCc1ccccc1
InChIInChI=1S/C22H24N2O2/c25-20-13-7-5-11-18(20)21-23-19-12-6-4-10-17(19)22(26)24(21)15-14-16-8-2-1-3-9-16/h1-3,5,7-9,11,13,17,19,25H,4,6,10,12,14-15H2
InChIKeyCVVOQWRQKUEKTG-UHFFFAOYSA-N
XLogP3.78
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinazolin-4-one with MolForge

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Related Compounds

2-(2-phenylethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 17359933
(4aR,8aS)-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydrobenzo[e][1,3]oxazine-2,4-dione
CID 13445150
2-[2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]isoindole-1,3-dione
CID 11417136
3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 85230706
2,3-bis(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinoxaline
CID 102080397
2-[(2-hydroxyphenyl)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 114332817
(3aS,6aR)-2-benzyl-5-(2-phenylethyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 91916070
N,N-dibenzyl-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 78764902
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione
CID 156590219
2-[2-[(3aS,10aR)-4-oxo-5-(3-phenylpropyl)-2,3,3a,10a-tetrahydro-1H-cyclopenta[b][1,5]benzodiazepin-10-yl]-2-oxoethyl]isoindole-1,3-dione
CID 70113560
(4R,9aR)-4-phenyl-2-(2-phenylethyl)-4,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,3-dione;hydrochloride
CID 57328011
2-[2-[4-(1-cyclohexylethenyl)phenyl]ethyl]isoindole-1,3-dione
CID 19817535

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinazolin-4-one?
The IUPAC name of 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinazolin-4-one (CID 135964374) is 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinazolin-4-one.
What is the SMILES notation for 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinazolin-4-one?
The canonical SMILES for 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinazolin-4-one is O=C1C2CCCCC2N=C(c2ccccc2O)N1CCc1ccccc1.
What is the InChIKey of 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinazolin-4-one?
The InChIKey is CVVOQWRQKUEKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c25-20-13-7-5-11-18(20)21-23-19-12-6-4-10-17(19)22(26)24(21)15-14-16-8-2-1-3-9-16/h1-3,5,7-9,11,13,17,19,25H,4,6,10,12,14-15H2.
What are the key properties of 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinazolin-4-one?
2-(2-hydroxyphenyl)-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinazolin-4-one has a molecular weight of 348.45 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinazolin-4-one is sourced from PubChem (CID 135964374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).