(2S)-3-(2-methoxyphenyl)-2-(2,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one

C24H24N2O5 — CID 9007459

IUPAC(2S)-3-(2-methoxyphenyl)-2-(2,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1cc(OC)c([C@H]2Nc3ccccc3C(=O)N2c2ccccc2OC)cc1OC
InChIInChI=1S/C24H24N2O5/c1-28-19-12-8-7-11-18(19)26-23(25-17-10-6-5-9-15(17)24(26)27)16-13-21(30-3)22(31-4)14-20(16)29-2/h5-14,23,25H,1-4H3/t23-/m0/s1
InChIKeyDBHRBQTUFAGTCG-QHCPKHFHSA-N
MW420.47 g/mol
LogP4.49
Rot. Bonds6

About (2S)-3-(2-methoxyphenyl)-2-(2,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one

(2S)-3-(2-methoxyphenyl)-2-(2,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 9007459) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is (2S)-3-(2-methoxyphenyl)-2-(2,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-3-(2-methoxyphenyl)-2-(2,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID9007459
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name(2S)-3-(2-methoxyphenyl)-2-(2,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1cc(OC)c([C@H]2Nc3ccccc3C(=O)N2c2ccccc2OC)cc1OC
InChIInChI=1S/C24H24N2O5/c1-28-19-12-8-7-11-18(19)26-23(25-17-10-6-5-9-15(17)24(26)27)16-13-21(30-3)22(31-4)14-20(16)29-2/h5-14,23,25H,1-4H3/t23-/m0/s1
InChIKeyDBHRBQTUFAGTCG-QHCPKHFHSA-N
XLogP4.49
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(2,3-dihydroxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007460
(2S)-2-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007508
2-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 3452230
(2R)-2-(3-hydroxy-4-methoxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007456
2-(5-bromo-2,4-dimethoxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 3159958
(2R)-2-(furan-2-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007501
(2S)-3-(2-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1,2-dihydroquinazolin-4-one
CID 847903
(2S)-3-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)-1,2-dihydroquinazolin-4-one
CID 97324736
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9328285
2-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 2962498
(2R)-2-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1302513
(2S)-3-(2-methoxyphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9011931

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2-methoxyphenyl)-2-(2,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-3-(2-methoxyphenyl)-2-(2,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 9007459) is (2S)-3-(2-methoxyphenyl)-2-(2,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-3-(2-methoxyphenyl)-2-(2,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-3-(2-methoxyphenyl)-2-(2,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one is COc1cc(OC)c([C@H]2Nc3ccccc3C(=O)N2c2ccccc2OC)cc1OC.
What is the InChIKey of (2S)-3-(2-methoxyphenyl)-2-(2,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is DBHRBQTUFAGTCG-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-28-19-12-8-7-11-18(19)26-23(25-17-10-6-5-9-15(17)24(26)27)16-13-21(30-3)22(31-4)14-20(16)29-2/h5-14,23,25H,1-4H3/t23-/m0/s1.
What are the key properties of (2S)-3-(2-methoxyphenyl)-2-(2,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one?
(2S)-3-(2-methoxyphenyl)-2-(2,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 420.47 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2-methoxyphenyl)-2-(2,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 9007459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).