methyl 2-[(2R)-3-hydroxy-2-phenyl-2,4-dihydroquinazolin-1-yl]-2-phenylacetate

C23H22N2O3 — CID 151945368

IUPACmethyl 2-[(2R)-3-hydroxy-2-phenyl-2,4-dihydroquinazolin-1-yl]-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)N1c2ccccc2CN(O)[C@@H]1c1ccccc1
InChIInChI=1S/C23H22N2O3/c1-28-23(26)21(17-10-4-2-5-11-17)25-20-15-9-8-14-19(20)16-24(27)22(25)18-12-6-3-7-13-18/h2-15,21-22,27H,16H2,1H3/t21?,22-/m0/s1
InChIKeyTVNIEVCOCSIRBF-KEKNWZKVSA-N
MW374.44 g/mol
LogP4.31
Rot. Bonds4

About methyl 2-[(2R)-3-hydroxy-2-phenyl-2,4-dihydroquinazolin-1-yl]-2-phenylacetate

methyl 2-[(2R)-3-hydroxy-2-phenyl-2,4-dihydroquinazolin-1-yl]-2-phenylacetate (PubChem CID 151945368) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is methyl 2-[(2R)-3-hydroxy-2-phenyl-2,4-dihydroquinazolin-1-yl]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(2R)-3-hydroxy-2-phenyl-2,4-dihydroquinazolin-1-yl]-2-phenylacetate
PubChem CID151945368
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Namemethyl 2-[(2R)-3-hydroxy-2-phenyl-2,4-dihydroquinazolin-1-yl]-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)N1c2ccccc2CN(O)[C@@H]1c1ccccc1
InChIInChI=1S/C23H22N2O3/c1-28-23(26)21(17-10-4-2-5-11-17)25-20-15-9-8-14-19(20)16-24(27)22(25)18-12-6-3-7-13-18/h2-15,21-22,27H,16H2,1H3/t21?,22-/m0/s1
InChIKeyTVNIEVCOCSIRBF-KEKNWZKVSA-N
XLogP4.31
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2R)-3-hydroxy-2-phenyl-2,4-dihydroquinazolin-1-yl]-2-phenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-3-hydroxy-2-phenyl-2,4-dihydroquinazolin-1-yl]-2-phenylacetate?
The IUPAC name of methyl 2-[(2R)-3-hydroxy-2-phenyl-2,4-dihydroquinazolin-1-yl]-2-phenylacetate (CID 151945368) is methyl 2-[(2R)-3-hydroxy-2-phenyl-2,4-dihydroquinazolin-1-yl]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(2R)-3-hydroxy-2-phenyl-2,4-dihydroquinazolin-1-yl]-2-phenylacetate?
The canonical SMILES for methyl 2-[(2R)-3-hydroxy-2-phenyl-2,4-dihydroquinazolin-1-yl]-2-phenylacetate is COC(=O)C(c1ccccc1)N1c2ccccc2CN(O)[C@@H]1c1ccccc1.
What is the InChIKey of methyl 2-[(2R)-3-hydroxy-2-phenyl-2,4-dihydroquinazolin-1-yl]-2-phenylacetate?
The InChIKey is TVNIEVCOCSIRBF-KEKNWZKVSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-28-23(26)21(17-10-4-2-5-11-17)25-20-15-9-8-14-19(20)16-24(27)22(25)18-12-6-3-7-13-18/h2-15,21-22,27H,16H2,1H3/t21?,22-/m0/s1.
What are the key properties of methyl 2-[(2R)-3-hydroxy-2-phenyl-2,4-dihydroquinazolin-1-yl]-2-phenylacetate?
methyl 2-[(2R)-3-hydroxy-2-phenyl-2,4-dihydroquinazolin-1-yl]-2-phenylacetate has a molecular weight of 374.44 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-3-hydroxy-2-phenyl-2,4-dihydroquinazolin-1-yl]-2-phenylacetate is sourced from PubChem (CID 151945368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).