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

C20H23N3O3 — CID 94452264

IUPAC2-[4-[(2S)-3-[(2R)-butan-2-yl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
SMILESCC[C@@H](C)N1C(=O)c2ccccc2N[C@@H]1c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C20H23N3O3/c1-3-13(2)23-19(22-17-7-5-4-6-16(17)20(23)25)14-8-10-15(11-9-14)26-12-18(21)24/h4-11,13,19,22H,3,12H2,1-2H3,(H2,21,24)/t13-,19+/m1/s1
InChIKeyADXBQNGBTKEDOH-YJYMSZOUSA-N
MW353.42 g/mol
LogP2.92
Rot. Bonds6

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

2-[4-[(2S)-3-[(2R)-butan-2-yl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide (PubChem CID 94452264) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[4-[(2S)-3-[(2R)-butan-2-yl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(2S)-3-[(2R)-butan-2-yl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
PubChem CID94452264
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-[4-[(2S)-3-[(2R)-butan-2-yl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
SMILESCC[C@@H](C)N1C(=O)c2ccccc2N[C@@H]1c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C20H23N3O3/c1-3-13(2)23-19(22-17-7-5-4-6-16(17)20(23)25)14-8-10-15(11-9-14)26-12-18(21)24/h4-11,13,19,22H,3,12H2,1-2H3,(H2,21,24)/t13-,19+/m1/s1
InChIKeyADXBQNGBTKEDOH-YJYMSZOUSA-N
XLogP2.92
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(2S)-3-[(2R)-butan-2-yl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide with MolForge

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Related Compounds

3-butan-2-yl-2-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779004
(2S)-3-[(2S)-butan-2-yl]-2-[4-(difluoromethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 9008120
(2R)-3-[(2S)-butan-2-yl]-2-(4-chlorophenyl)-1,2-dihydroquinazolin-4-one
CID 9008066
2-[4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 25347550
(2S)-3-[(2S)-butan-2-yl]-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008031
(2S)-3-[(2R)-butan-2-yl]-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 9008392
2-[4-[(2R)-3-[(2S)-butan-2-yl]-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenoxy]acetic acid
CID 9008372
2-[4-[(2R)-4-oxo-3-prop-2-enyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 26638727
2-[4-[3-[(4-methylphenyl)methyl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 17478602
(2S)-3-[(2S)-butan-2-yl]-2-(3-ethoxy-4-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008003
(2S)-3-[(2R)-butan-2-yl]-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9012010
3-butan-2-yl-2-[3-(2-methoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54778992

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-3-[(2R)-butan-2-yl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(2S)-3-[(2R)-butan-2-yl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide (CID 94452264) is 2-[4-[(2S)-3-[(2R)-butan-2-yl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(2S)-3-[(2R)-butan-2-yl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(2S)-3-[(2R)-butan-2-yl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide is CC[C@@H](C)N1C(=O)c2ccccc2N[C@@H]1c1ccc(OCC(N)=O)cc1.
What is the InChIKey of 2-[4-[(2S)-3-[(2R)-butan-2-yl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide?
The InChIKey is ADXBQNGBTKEDOH-YJYMSZOUSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-3-13(2)23-19(22-17-7-5-4-6-16(17)20(23)25)14-8-10-15(11-9-14)26-12-18(21)24/h4-11,13,19,22H,3,12H2,1-2H3,(H2,21,24)/t13-,19+/m1/s1.
What are the key properties of 2-[4-[(2S)-3-[(2R)-butan-2-yl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide?
2-[4-[(2S)-3-[(2R)-butan-2-yl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide has a molecular weight of 353.42 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-3-[(2R)-butan-2-yl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide is sourced from PubChem (CID 94452264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).