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

C22H20N2O4 — CID 1131639

IUPAC(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(O)c(OC)c2)cc1
InChIInChI=1S/C22H20N2O4/c1-27-16-10-8-15(9-11-16)24-21(14-7-12-19(25)20(13-14)28-2)23-18-6-4-3-5-17(18)22(24)26/h3-13,21,23,25H,1-2H3/t21-/m0/s1
InChIKeyNNJJPSNZCWKPEW-NRFANRHFSA-N
MW376.41 g/mol
LogP4.18
Rot. Bonds4

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

(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 1131639) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is (2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID1131639
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(O)c(OC)c2)cc1
InChIInChI=1S/C22H20N2O4/c1-27-16-10-8-15(9-11-16)24-21(14-7-12-19(25)20(13-14)28-2)23-18-6-4-3-5-17(18)22(24)26/h3-13,21,23,25H,1-2H3/t21-/m0/s1
InChIKeyNNJJPSNZCWKPEW-NRFANRHFSA-N
XLogP4.18
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9006434
(2S)-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1009267
(2S)-2-(4-hydroxy-3-nitrophenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9011785
(2S)-3-(4-fluorophenyl)-2-(3-hydroxy-4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007309
2-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 3846487
(2R)-2-(4-bromophenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1219427
(2S)-2-(3-bromo-4-hydroxyphenyl)-3-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 25354877
2-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 3117510
2-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 2901716
(2R)-2-(3,4-dihydroxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 9007397
N-[4-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
CID 3988866
2-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 658545

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 1131639) is (2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one is COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(O)c(OC)c2)cc1.
What is the InChIKey of (2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is NNJJPSNZCWKPEW-NRFANRHFSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-27-16-10-8-15(9-11-16)24-21(14-7-12-19(25)20(13-14)28-2)23-18-6-4-3-5-17(18)22(24)26/h3-13,21,23,25H,1-2H3/t21-/m0/s1.
What are the key properties of (2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 376.41 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 1131639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).