2-[(2S)-oxolan-2-yl]-N-(4-oxo-3H-quinazolin-6-yl)acetamide

C14H15N3O3 — CID 136827778

IUPAC2-[(2S)-oxolan-2-yl]-N-(4-oxo-3H-quinazolin-6-yl)acetamide
SMILESO=C(C[C@@H]1CCCO1)Nc1ccc2nc[nH]c(=O)c2c1
InChIInChI=1S/C14H15N3O3/c18-13(7-10-2-1-5-20-10)17-9-3-4-12-11(6-9)14(19)16-8-15-12/h3-4,6,8,10H,1-2,5,7H2,(H,17,18)(H,15,16,19)/t10-/m0/s1
InChIKeyFLEZMPXALIJWQW-JTQLQIEISA-N
MW273.29 g/mol
LogP1.43
Rot. Bonds3

About 2-[(2S)-oxolan-2-yl]-N-(4-oxo-3H-quinazolin-6-yl)acetamide

2-[(2S)-oxolan-2-yl]-N-(4-oxo-3H-quinazolin-6-yl)acetamide (PubChem CID 136827778) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[(2S)-oxolan-2-yl]-N-(4-oxo-3H-quinazolin-6-yl)acetamide.

Molecular Properties

Compound Name2-[(2S)-oxolan-2-yl]-N-(4-oxo-3H-quinazolin-6-yl)acetamide
PubChem CID136827778
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-[(2S)-oxolan-2-yl]-N-(4-oxo-3H-quinazolin-6-yl)acetamide
SMILESO=C(C[C@@H]1CCCO1)Nc1ccc2nc[nH]c(=O)c2c1
InChIInChI=1S/C14H15N3O3/c18-13(7-10-2-1-5-20-10)17-9-3-4-12-11(6-9)14(19)16-8-15-12/h3-4,6,8,10H,1-2,5,7H2,(H,17,18)(H,15,16,19)/t10-/m0/s1
InChIKeyFLEZMPXALIJWQW-JTQLQIEISA-N
XLogP1.43
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[[2-(oxolan-2-yl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107339211
3-(2,5-dimethylpyrrol-1-yl)-N-(4-oxo-3H-quinazolin-6-yl)propanamide
CID 135637599
N-[3-(4-aminoquinazolin-6-yl)phenyl]-2-(oxolan-2-yl)acetamide
CID 90055031
5-(dithiolan-3-yl)-N-(4-oxo-3H-quinazolin-6-yl)pentanamide
CID 135639539
N-[3-(cyclopentylamino)phenyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95629890
N-(4-bromo-3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 103824726
N-(3-methyl-4-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide
CID 65155493
N-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 47209133
N-(4-ethylphenyl)-2-(oxolan-2-yl)acetamide
CID 110696629
N-[3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65155963
N-(3,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209277
2-(oxan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 110608202

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-oxolan-2-yl]-N-(4-oxo-3H-quinazolin-6-yl)acetamide?
The IUPAC name of 2-[(2S)-oxolan-2-yl]-N-(4-oxo-3H-quinazolin-6-yl)acetamide (CID 136827778) is 2-[(2S)-oxolan-2-yl]-N-(4-oxo-3H-quinazolin-6-yl)acetamide.
What is the SMILES notation for 2-[(2S)-oxolan-2-yl]-N-(4-oxo-3H-quinazolin-6-yl)acetamide?
The canonical SMILES for 2-[(2S)-oxolan-2-yl]-N-(4-oxo-3H-quinazolin-6-yl)acetamide is O=C(C[C@@H]1CCCO1)Nc1ccc2nc[nH]c(=O)c2c1.
What is the InChIKey of 2-[(2S)-oxolan-2-yl]-N-(4-oxo-3H-quinazolin-6-yl)acetamide?
The InChIKey is FLEZMPXALIJWQW-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15N3O3/c18-13(7-10-2-1-5-20-10)17-9-3-4-12-11(6-9)14(19)16-8-15-12/h3-4,6,8,10H,1-2,5,7H2,(H,17,18)(H,15,16,19)/t10-/m0/s1.
What are the key properties of 2-[(2S)-oxolan-2-yl]-N-(4-oxo-3H-quinazolin-6-yl)acetamide?
2-[(2S)-oxolan-2-yl]-N-(4-oxo-3H-quinazolin-6-yl)acetamide has a molecular weight of 273.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-oxolan-2-yl]-N-(4-oxo-3H-quinazolin-6-yl)acetamide is sourced from PubChem (CID 136827778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).