(2S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one

C24H24N2O5 — CID 25343997

IUPAC(2S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one
SMILESCOc1ccc(N2C(=O)c3ccccc3N(C)[C@@H]2c2cc(OC)c(O)c(OC)c2)cc1
InChIInChI=1S/C24H24N2O5/c1-25-19-8-6-5-7-18(19)24(28)26(16-9-11-17(29-2)12-10-16)23(25)15-13-20(30-3)22(27)21(14-15)31-4/h5-14,23,27H,1-4H3/t23-/m0/s1
InChIKeyMLLPJQLNZYLLFB-QHCPKHFHSA-N
MW420.47 g/mol
LogP4.21
Rot. Bonds5

About (2S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one

(2S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one (PubChem CID 25343997) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is (2S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one
PubChem CID25343997
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name(2S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one
SMILESCOc1ccc(N2C(=O)c3ccccc3N(C)[C@@H]2c2cc(OC)c(O)c(OC)c2)cc1
InChIInChI=1S/C24H24N2O5/c1-25-19-8-6-5-7-18(19)24(28)26(16-9-11-17(29-2)12-10-16)23(25)15-13-20(30-3)22(27)21(14-15)31-4/h5-14,23,27H,1-4H3/t23-/m0/s1
InChIKeyMLLPJQLNZYLLFB-QHCPKHFHSA-N
XLogP4.21
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one?
The IUPAC name of (2S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one (CID 25343997) is (2S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one.
What is the SMILES notation for (2S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one?
The canonical SMILES for (2S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one is COc1ccc(N2C(=O)c3ccccc3N(C)[C@@H]2c2cc(OC)c(O)c(OC)c2)cc1.
What is the InChIKey of (2S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one?
The InChIKey is MLLPJQLNZYLLFB-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-25-19-8-6-5-7-18(19)24(28)26(16-9-11-17(29-2)12-10-16)23(25)15-13-20(30-3)22(27)21(14-15)31-4/h5-14,23,27H,1-4H3/t23-/m0/s1.
What are the key properties of (2S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one?
(2S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one has a molecular weight of 420.47 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one is sourced from PubChem (CID 25343997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).