(2R)-2-(2,4-dimethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one

C21H24N2O2 — CID 25359987

IUPAC(2R)-2-(2,4-dimethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
SMILESCc1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c(C)c1
InChIInChI=1S/C21H24N2O2/c1-14-9-10-17(15(2)12-14)20-22-19-8-4-3-7-18(19)21(24)23(20)13-16-6-5-11-25-16/h3-4,7-10,12,16,20,22H,5-6,11,13H2,1-2H3/t16-,20-/m1/s1
InChIKeyMNKNYVIYSABVKA-OXQOHEQNSA-N
MW336.44 g/mol
LogP4.05
Rot. Bonds3

About (2R)-2-(2,4-dimethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one

(2R)-2-(2,4-dimethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one (PubChem CID 25359987) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (2R)-2-(2,4-dimethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-(2,4-dimethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
PubChem CID25359987
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(2R)-2-(2,4-dimethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
SMILESCc1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c(C)c1
InChIInChI=1S/C21H24N2O2/c1-14-9-10-17(15(2)12-14)20-22-19-8-4-3-7-18(19)21(24)23(20)13-16-6-5-11-25-16/h3-4,7-10,12,16,20,22H,5-6,11,13H2,1-2H3/t16-,20-/m1/s1
InChIKeyMNKNYVIYSABVKA-OXQOHEQNSA-N
XLogP4.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dimethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-2-(2,4-dimethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one (CID 25359987) is (2R)-2-(2,4-dimethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-2-(2,4-dimethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-2-(2,4-dimethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one is Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c(C)c1.
What is the InChIKey of (2R)-2-(2,4-dimethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one?
The InChIKey is MNKNYVIYSABVKA-OXQOHEQNSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-14-9-10-17(15(2)12-14)20-22-19-8-4-3-7-18(19)21(24)23(20)13-16-6-5-11-25-16/h3-4,7-10,12,16,20,22H,5-6,11,13H2,1-2H3/t16-,20-/m1/s1.
What are the key properties of (2R)-2-(2,4-dimethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one?
(2R)-2-(2,4-dimethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one has a molecular weight of 336.44 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dimethylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 25359987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).