tert-butyl 2-(3-methoxy-2-oxo-1,4-dihydroquinazolin-4-yl)acetate

C15H20N2O4 — CID 53474524

IUPACtert-butyl 2-(3-methoxy-2-oxo-1,4-dihydroquinazolin-4-yl)acetate
SMILESCON1C(=O)Nc2ccccc2C1CC(=O)OC(C)(C)C
InChIInChI=1S/C15H20N2O4/c1-15(2,3)21-13(18)9-12-10-7-5-6-8-11(10)16-14(19)17(12)20-4/h5-8,12H,9H2,1-4H3,(H,16,19)
InChIKeyIIHWXARHNCLTCC-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.87
Rot. Bonds3

About tert-butyl 2-(3-methoxy-2-oxo-1,4-dihydroquinazolin-4-yl)acetate

tert-butyl 2-(3-methoxy-2-oxo-1,4-dihydroquinazolin-4-yl)acetate (PubChem CID 53474524) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is tert-butyl 2-(3-methoxy-2-oxo-1,4-dihydroquinazolin-4-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3-methoxy-2-oxo-1,4-dihydroquinazolin-4-yl)acetate
PubChem CID53474524
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Nametert-butyl 2-(3-methoxy-2-oxo-1,4-dihydroquinazolin-4-yl)acetate
SMILESCON1C(=O)Nc2ccccc2C1CC(=O)OC(C)(C)C
InChIInChI=1S/C15H20N2O4/c1-15(2,3)21-13(18)9-12-10-7-5-6-8-11(10)16-14(19)17(12)20-4/h5-8,12H,9H2,1-4H3,(H,16,19)
InChIKeyIIHWXARHNCLTCC-UHFFFAOYSA-N
XLogP2.87
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-oxo-3-propyl-1,4-dihydroquinazolin-4-yl)acetate
CID 10989080
methyl 2-[3-(4-methylphenyl)-2-sulfanylidene-1,4-dihydroquinazolin-4-yl]acetate
CID 15514924
methyl (3S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate
CID 118432286
tert-butyl (3R)-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]pyrrolidine-1-carboxylate
CID 98060720
tert-butyl 2-[1-(cyanomethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-5-yl]acetate
CID 140528387
ethyl 2-(2-oxo-3,4-dihydro-1H-quinazolin-4-yl)acetate
CID 53474520
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 26201665
tert-butyl 2-[1-(2-amino-2-sulfanylideneethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-5-yl]acetate
CID 140528390
tert-butyl 2-[(3R)-6-methyl-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetate
CID 68940837
methyl 3-(2-oxo-1,3-dihydroindol-3-yl)propanoate
CID 14903583
tert-butyl 2-(7-hydroxy-7-methyl-8,9-dihydrobenzo[7]annulen-9-yl)acetate
CID 91504449
tert-butyl 2-[(4R)-2-benzyl-3-oxo-1,2-oxazolidin-4-yl]acetate
CID 147034000

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-methoxy-2-oxo-1,4-dihydroquinazolin-4-yl)acetate?
The IUPAC name of tert-butyl 2-(3-methoxy-2-oxo-1,4-dihydroquinazolin-4-yl)acetate (CID 53474524) is tert-butyl 2-(3-methoxy-2-oxo-1,4-dihydroquinazolin-4-yl)acetate.
What is the SMILES notation for tert-butyl 2-(3-methoxy-2-oxo-1,4-dihydroquinazolin-4-yl)acetate?
The canonical SMILES for tert-butyl 2-(3-methoxy-2-oxo-1,4-dihydroquinazolin-4-yl)acetate is CON1C(=O)Nc2ccccc2C1CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(3-methoxy-2-oxo-1,4-dihydroquinazolin-4-yl)acetate?
The InChIKey is IIHWXARHNCLTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(2,3)21-13(18)9-12-10-7-5-6-8-11(10)16-14(19)17(12)20-4/h5-8,12H,9H2,1-4H3,(H,16,19).
What are the key properties of tert-butyl 2-(3-methoxy-2-oxo-1,4-dihydroquinazolin-4-yl)acetate?
tert-butyl 2-(3-methoxy-2-oxo-1,4-dihydroquinazolin-4-yl)acetate has a molecular weight of 292.33 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-methoxy-2-oxo-1,4-dihydroquinazolin-4-yl)acetate is sourced from PubChem (CID 53474524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).