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

C21H18N2O4 — CID 9007460

IUPAC(2R)-2-(2,3-dihydroxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1cccc(O)c1O
InChIInChI=1S/C21H18N2O4/c1-27-18-12-5-4-10-16(18)23-20(14-8-6-11-17(24)19(14)25)22-15-9-3-2-7-13(15)21(23)26/h2-12,20,22,24-25H,1H3/t20-/m1/s1
InChIKeyYSEHRRHHONXKJB-HXUWFJFHSA-N
MW362.39 g/mol
LogP3.88
Rot. Bonds3

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

(2R)-2-(2,3-dihydroxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 9007460) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is (2R)-2-(2,3-dihydroxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-(2,3-dihydroxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID9007460
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name(2R)-2-(2,3-dihydroxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1cccc(O)c1O
InChIInChI=1S/C21H18N2O4/c1-27-18-12-5-4-10-16(18)23-20(14-8-6-11-17(24)19(14)25)22-15-9-3-2-7-13(15)21(23)26/h2-12,20,22,24-25H,1H3/t20-/m1/s1
InChIKeyYSEHRRHHONXKJB-HXUWFJFHSA-N
XLogP3.88
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.88
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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dihydroxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-2-(2,3-dihydroxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 9007460) is (2R)-2-(2,3-dihydroxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-2-(2,3-dihydroxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-2-(2,3-dihydroxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one is COc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1cccc(O)c1O.
What is the InChIKey of (2R)-2-(2,3-dihydroxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is YSEHRRHHONXKJB-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-27-18-12-5-4-10-16(18)23-20(14-8-6-11-17(24)19(14)25)22-15-9-3-2-7-13(15)21(23)26/h2-12,20,22,24-25H,1H3/t20-/m1/s1.
What are the key properties of (2R)-2-(2,3-dihydroxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
(2R)-2-(2,3-dihydroxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 362.39 g/mol, XLogP of 3.88, 3 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-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 9007460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).