3-benzhydryl-6-(2-hydroxyethoxy)-2-methylquinazolin-4-one

C24H22N2O3 — CID 58186963

IUPAC3-benzhydryl-6-(2-hydroxyethoxy)-2-methylquinazolin-4-one
SMILESCc1nc2ccc(OCCO)cc2c(=O)n1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2O3/c1-17-25-22-13-12-20(29-15-14-27)16-21(22)24(28)26(17)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16,23,27H,14-15H2,1H3
InChIKeyFSOCYFFXDIAGTN-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.71
Rot. Bonds6

About 3-benzhydryl-6-(2-hydroxyethoxy)-2-methylquinazolin-4-one

3-benzhydryl-6-(2-hydroxyethoxy)-2-methylquinazolin-4-one (PubChem CID 58186963) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-benzhydryl-6-(2-hydroxyethoxy)-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-benzhydryl-6-(2-hydroxyethoxy)-2-methylquinazolin-4-one
PubChem CID58186963
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name3-benzhydryl-6-(2-hydroxyethoxy)-2-methylquinazolin-4-one
SMILESCc1nc2ccc(OCCO)cc2c(=O)n1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2O3/c1-17-25-22-13-12-20(29-15-14-27)16-21(22)24(28)26(17)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16,23,27H,14-15H2,1H3
InChIKeyFSOCYFFXDIAGTN-UHFFFAOYSA-N
XLogP3.71
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzhydryl-6-(4-hydroxy-N-methylanilino)-2-methylquinazolin-4-one
CID 44513254
2-methylbutan-2-yl 2-[2-methyl-3-[(2-methylphenyl)-phenylmethyl]-4-oxoquinazolin-6-yl]oxyacetate
CID 143898940
3-benzhydryl-2-methyl-4-oxoquinazoline-6-carbonitrile
CID 58186973
3-benzhydryl-2-methyl-7-phenylquinazolin-4-one
CID 58186997
3-benzhydryl-6-(4-chloro-N-methylanilino)-2-methylquinazolin-4-one
CID 58187033
CID 88970130
CID 88970130
3-benzhydryl-6-(3-chloro-N-methylanilino)-2-methylquinazolin-4-one
CID 58186986
methyl 3-[(3-benzhydryl-2-methyl-4-oxoquinazolin-6-yl)-methylamino]benzoate
CID 44514505
2-[(3-benzhydryl-2-methyl-4-oxoquinazolin-6-yl)-methylamino]benzaldehyde
CID 88970144
3-benzhydryl-2-methyl-6-(N-methyl-4-methylsulfonylanilino)quinazolin-4-one
CID 58187079
6-(dimethylamino)-2-methyl-3-[phenyl(pyridin-3-yl)methyl]quinazolin-4-one
CID 58187206
3-benzhydryl-2-methyl-4-oxoquinazoline-7-carbonitrile
CID 58187192

Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-6-(2-hydroxyethoxy)-2-methylquinazolin-4-one?
The IUPAC name of 3-benzhydryl-6-(2-hydroxyethoxy)-2-methylquinazolin-4-one (CID 58186963) is 3-benzhydryl-6-(2-hydroxyethoxy)-2-methylquinazolin-4-one.
What is the SMILES notation for 3-benzhydryl-6-(2-hydroxyethoxy)-2-methylquinazolin-4-one?
The canonical SMILES for 3-benzhydryl-6-(2-hydroxyethoxy)-2-methylquinazolin-4-one is Cc1nc2ccc(OCCO)cc2c(=O)n1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-benzhydryl-6-(2-hydroxyethoxy)-2-methylquinazolin-4-one?
The InChIKey is FSOCYFFXDIAGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-17-25-22-13-12-20(29-15-14-27)16-21(22)24(28)26(17)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16,23,27H,14-15H2,1H3.
What are the key properties of 3-benzhydryl-6-(2-hydroxyethoxy)-2-methylquinazolin-4-one?
3-benzhydryl-6-(2-hydroxyethoxy)-2-methylquinazolin-4-one has a molecular weight of 386.45 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryl-6-(2-hydroxyethoxy)-2-methylquinazolin-4-one is sourced from PubChem (CID 58186963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).