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

C22H20N2O4 — CID 9007456

IUPAC(2R)-2-(3-hydroxy-4-methoxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2OC)cc1O
InChIInChI=1S/C22H20N2O4/c1-27-19-10-6-5-9-17(19)24-21(14-11-12-20(28-2)18(25)13-14)23-16-8-4-3-7-15(16)22(24)26/h3-13,21,23,25H,1-2H3/t21-/m1/s1
InChIKeyRPCQBKQAVHBBOM-OAQYLSRUSA-N
MW376.41 g/mol
LogP4.18
Rot. Bonds4

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

(2R)-2-(3-hydroxy-4-methoxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 9007456) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is (2R)-2-(3-hydroxy-4-methoxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-(3-hydroxy-4-methoxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID9007456
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name(2R)-2-(3-hydroxy-4-methoxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2OC)cc1O
InChIInChI=1S/C22H20N2O4/c1-27-19-10-6-5-9-17(19)24-21(14-11-12-20(28-2)18(25)13-14)23-16-8-4-3-7-15(16)22(24)26/h3-13,21,23,25H,1-2H3/t21-/m1/s1
InChIKeyRPCQBKQAVHBBOM-OAQYLSRUSA-N
XLogP4.18
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-hydroxy-4-methoxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-2-(3-hydroxy-4-methoxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 9007456) is (2R)-2-(3-hydroxy-4-methoxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-2-(3-hydroxy-4-methoxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-2-(3-hydroxy-4-methoxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one is COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2OC)cc1O.
What is the InChIKey of (2R)-2-(3-hydroxy-4-methoxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is RPCQBKQAVHBBOM-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-27-19-10-6-5-9-17(19)24-21(14-11-12-20(28-2)18(25)13-14)23-16-8-4-3-7-15(16)22(24)26/h3-13,21,23,25H,1-2H3/t21-/m1/s1.
What are the key properties of (2R)-2-(3-hydroxy-4-methoxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
(2R)-2-(3-hydroxy-4-methoxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 376.41 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-hydroxy-4-methoxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 9007456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).