2-[4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide

C23H21N3O4 — CID 25347550

IUPAC2-[4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
SMILESCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OCC(N)=O)cc2)cc1
InChIInChI=1S/C23H21N3O4/c1-29-17-12-8-16(9-13-17)26-22(25-20-5-3-2-4-19(20)23(26)28)15-6-10-18(11-7-15)30-14-21(24)27/h2-13,22,25H,14H2,1H3,(H2,24,27)/t22-/m0/s1
InChIKeyDFQJWBRNRDVTEK-QFIPXVFZSA-N
MW403.44 g/mol
LogP3.33
Rot. Bonds6

About 2-[4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide

2-[4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide (PubChem CID 25347550) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-[4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
PubChem CID25347550
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name2-[4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
SMILESCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OCC(N)=O)cc2)cc1
InChIInChI=1S/C23H21N3O4/c1-29-17-12-8-16(9-13-17)26-22(25-20-5-3-2-4-19(20)23(26)28)15-6-10-18(11-7-15)30-14-21(24)27/h2-13,22,25H,14H2,1H3,(H2,24,27)/t22-/m0/s1
InChIKeyDFQJWBRNRDVTEK-QFIPXVFZSA-N
XLogP3.33
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide (CID 25347550) is 2-[4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide is COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OCC(N)=O)cc2)cc1.
What is the InChIKey of 2-[4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide?
The InChIKey is DFQJWBRNRDVTEK-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-29-17-12-8-16(9-13-17)26-22(25-20-5-3-2-4-19(20)23(26)28)15-6-10-18(11-7-15)30-14-21(24)27/h2-13,22,25H,14H2,1H3,(H2,24,27)/t22-/m0/s1.
What are the key properties of 2-[4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide?
2-[4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide has a molecular weight of 403.44 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide is sourced from PubChem (CID 25347550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).