(2S)-2-(2,4-dihydroxyphenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one

C22H20N2O3 — CID 9007221

IUPAC(2S)-2-(2,4-dihydroxyphenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@H](c2ccc(O)cc2O)N1CCc1ccccc1
InChIInChI=1S/C22H20N2O3/c25-16-10-11-18(20(26)14-16)21-23-19-9-5-4-8-17(19)22(27)24(21)13-12-15-6-2-1-3-7-15/h1-11,14,21,23,25-26H,12-13H2/t21-/m0/s1
InChIKeyJWRNCMRBWGSGIP-NRFANRHFSA-N
MW360.41 g/mol
LogP3.91
Rot. Bonds4

About (2S)-2-(2,4-dihydroxyphenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one

(2S)-2-(2,4-dihydroxyphenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one (PubChem CID 9007221) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is (2S)-2-(2,4-dihydroxyphenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(2,4-dihydroxyphenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
PubChem CID9007221
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name(2S)-2-(2,4-dihydroxyphenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@H](c2ccc(O)cc2O)N1CCc1ccccc1
InChIInChI=1S/C22H20N2O3/c25-16-10-11-18(20(26)14-16)21-23-19-9-5-4-8-17(19)22(27)24(21)13-12-15-6-2-1-3-7-15/h1-11,14,21,23,25-26H,12-13H2/t21-/m0/s1
InChIKeyJWRNCMRBWGSGIP-NRFANRHFSA-N
XLogP3.91
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-naphthalen-1-yl-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 2414793
2-(3-chlorophenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 54779414
(2S)-3-cyclopropyl-2-(2,4-dihydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008561
(2S)-3-(2-phenylethyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one
CID 9007199
2-(3-nitrophenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 4789027
3-ethyl-2-(2-fluoro-4-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 138057442
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 7777989
(2R)-2-(3-ethoxy-2-hydroxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,2-dihydroquinazolin-4-one
CID 9007058
3-(2-methoxyethyl)-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54780311
2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 54779981
(2S)-2-(2-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009021
(2S)-2-(3,5-dimethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,2-dihydroquinazolin-4-one
CID 9007084

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dihydroxyphenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-2-(2,4-dihydroxyphenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one (CID 9007221) is (2S)-2-(2,4-dihydroxyphenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-2-(2,4-dihydroxyphenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-2-(2,4-dihydroxyphenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@H](c2ccc(O)cc2O)N1CCc1ccccc1.
What is the InChIKey of (2S)-2-(2,4-dihydroxyphenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is JWRNCMRBWGSGIP-NRFANRHFSA-N. The full InChI is InChI=1S/C22H20N2O3/c25-16-10-11-18(20(26)14-16)21-23-19-9-5-4-8-17(19)22(27)24(21)13-12-15-6-2-1-3-7-15/h1-11,14,21,23,25-26H,12-13H2/t21-/m0/s1.
What are the key properties of (2S)-2-(2,4-dihydroxyphenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one?
(2S)-2-(2,4-dihydroxyphenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 360.41 g/mol, XLogP of 3.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dihydroxyphenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 9007221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).