2-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid

C24H22N2O5 — CID 9006689

IUPAC2-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid
SMILESCCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(OCC(=O)O)cc2)cc1
InChIInChI=1S/C24H22N2O5/c1-2-30-18-13-9-17(10-14-18)26-23(25-21-6-4-3-5-20(21)24(26)29)16-7-11-19(12-8-16)31-15-22(27)28/h3-14,23,25H,2,15H2,1H3,(H,27,28)/t23-/m1/s1
InChIKeyVMAWDZNAMGBUFW-HSZRJFAPSA-N
MW418.45 g/mol
LogP4.32
Rot. Bonds7

About 2-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid

2-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid (PubChem CID 9006689) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is 2-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid
PubChem CID9006689
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name2-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid
SMILESCCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(OCC(=O)O)cc2)cc1
InChIInChI=1S/C24H22N2O5/c1-2-30-18-13-9-17(10-14-18)26-23(25-21-6-4-3-5-20(21)24(26)29)16-7-11-19(12-8-16)31-15-22(27)28/h3-14,23,25H,2,15H2,1H3,(H,27,28)/t23-/m1/s1
InChIKeyVMAWDZNAMGBUFW-HSZRJFAPSA-N
XLogP4.32
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid with MolForge

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Related Compounds

3-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 2853469
2-[4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 25347550
2-[4-[(2S)-3-(4-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetate
CID 9007176
2-[4-[(2S)-2-(3-nitrophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenoxy]acetic acid
CID 40788977
(2R)-3-(4-ethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
CID 9006701
(2R)-2-(2,3-dihydroxyphenyl)-3-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9006631
(2S)-3-(4-ethoxyphenyl)-2-(4-hydroxy-3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9011815
4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-nitrophenolate
CID 9011814
2-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 2901716
2-[4-[(2S)-3-[(4-methylphenyl)methyl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid
CID 9006605
2-[5-bromo-2-ethoxy-4-[(2S)-4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid
CID 1017596
(2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 805625

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid (CID 9006689) is 2-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid is CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(OCC(=O)O)cc2)cc1.
What is the InChIKey of 2-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid?
The InChIKey is VMAWDZNAMGBUFW-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-2-30-18-13-9-17(10-14-18)26-23(25-21-6-4-3-5-20(21)24(26)29)16-7-11-19(12-8-16)31-15-22(27)28/h3-14,23,25H,2,15H2,1H3,(H,27,28)/t23-/m1/s1.
What are the key properties of 2-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid?
2-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid has a molecular weight of 418.45 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid is sourced from PubChem (CID 9006689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).