(2R)-2-(2,3-dihydroxyphenyl)-3-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one

C22H20N2O4 — CID 9006631

IUPAC(2R)-2-(2,3-dihydroxyphenyl)-3-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc(O)c2O)cc1
InChIInChI=1S/C22H20N2O4/c1-2-28-15-12-10-14(11-13-15)24-21(17-7-5-9-19(25)20(17)26)23-18-8-4-3-6-16(18)22(24)27/h3-13,21,23,25-26H,2H2,1H3/t21-/m1/s1
InChIKeyHBBWRAQAZSJRTF-OAQYLSRUSA-N
MW376.41 g/mol
LogP4.27
Rot. Bonds4

About (2R)-2-(2,3-dihydroxyphenyl)-3-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one

(2R)-2-(2,3-dihydroxyphenyl)-3-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 9006631) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is (2R)-2-(2,3-dihydroxyphenyl)-3-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-(2,3-dihydroxyphenyl)-3-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID9006631
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name(2R)-2-(2,3-dihydroxyphenyl)-3-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc(O)c2O)cc1
InChIInChI=1S/C22H20N2O4/c1-2-28-15-12-10-14(11-13-15)24-21(17-7-5-9-19(25)20(17)26)23-18-8-4-3-6-16(18)22(24)27/h3-13,21,23,25-26H,2H2,1H3/t21-/m1/s1
InChIKeyHBBWRAQAZSJRTF-OAQYLSRUSA-N
XLogP4.27
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 2853469
2-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid
CID 9006689
2-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 3846487
(2R)-2-(2,3-dihydroxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007460
(2S)-3-(4-ethoxyphenyl)-2-(4-hydroxy-3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9011815
(2R)-3-(4-ethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
CID 9006701
2-(4-ethoxyphenyl)-3-hydroxy-3H-isoindol-1-one
CID 5309890
3-(4-butylphenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 176687363
(2R)-3-(3-ethoxyphenyl)-2-(2-hydroxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one
CID 7027374
(2R)-3-[(2R)-butan-2-yl]-2-(2,3-dihydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007949
4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-nitrophenolate
CID 9011814
(2R)-2-(3-ethoxy-2-hydroxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009018

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dihydroxyphenyl)-3-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-2-(2,3-dihydroxyphenyl)-3-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 9006631) is (2R)-2-(2,3-dihydroxyphenyl)-3-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-2-(2,3-dihydroxyphenyl)-3-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-2-(2,3-dihydroxyphenyl)-3-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one is CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc(O)c2O)cc1.
What is the InChIKey of (2R)-2-(2,3-dihydroxyphenyl)-3-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is HBBWRAQAZSJRTF-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-2-28-15-12-10-14(11-13-15)24-21(17-7-5-9-19(25)20(17)26)23-18-8-4-3-6-16(18)22(24)27/h3-13,21,23,25-26H,2H2,1H3/t21-/m1/s1.
What are the key properties of (2R)-2-(2,3-dihydroxyphenyl)-3-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one?
(2R)-2-(2,3-dihydroxyphenyl)-3-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 376.41 g/mol, XLogP of 4.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dihydroxyphenyl)-3-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 9006631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).