ethyl 2-oxo-3,4-dihydro-1H-quinazoline-4-carboxylate

C11H12N2O3 — CID 22956885

IUPACethyl 2-oxo-3,4-dihydro-1H-quinazoline-4-carboxylate
SMILESCCOC(=O)C1NC(=O)Nc2ccccc21
InChIInChI=1S/C11H12N2O3/c1-2-16-10(14)9-7-5-3-4-6-8(7)12-11(15)13-9/h3-6,9H,2H2,1H3,(H2,12,13,15)
InChIKeyFYAWSVLQFNVLER-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.43
Rot. Bonds2

About ethyl 2-oxo-3,4-dihydro-1H-quinazoline-4-carboxylate

ethyl 2-oxo-3,4-dihydro-1H-quinazoline-4-carboxylate (PubChem CID 22956885) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is ethyl 2-oxo-3,4-dihydro-1H-quinazoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-3,4-dihydro-1H-quinazoline-4-carboxylate
PubChem CID22956885
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Nameethyl 2-oxo-3,4-dihydro-1H-quinazoline-4-carboxylate
SMILESCCOC(=O)C1NC(=O)Nc2ccccc21
InChIInChI=1S/C11H12N2O3/c1-2-16-10(14)9-7-5-3-4-6-8(7)12-11(15)13-9/h3-6,9H,2H2,1H3,(H2,12,13,15)
InChIKeyFYAWSVLQFNVLER-UHFFFAOYSA-N
XLogP1.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-oxo-3,4-dihydro-1H-quinazolin-4-yl)acetate
CID 53474520
ethyl 2-methoxy-5,6-dihydrophenanthridine-6-carboxylate
CID 132522989
diethyl 2-(2-oxo-1,3-dihydroindol-3-yl)propanedioate
CID 11460508
ethyl 4-hydroxy-2-methyl-1,4-dihydroquinoline-3-carboxylate
CID 140989258
ethyl 4-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 143299555
ethyl (3S)-2,3-dihydro-1H-indole-3-carboxylate;hydrochloride
CID 172907953
ethyl (4R)-6-methyl-4-naphthalen-1-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 691366
ethyl (E)-3-(2-oxo-1,3-dihydroindol-3-yl)prop-2-enoate
CID 174787391
ethyl (3S,4S,5S)-2-oxo-4,5-diphenylpyrrolidine-3-carboxylate
CID 129438808
3-ethoxy-1,3-dihydroindol-2-one
CID 5206883
4-tert-butyl-3,4-dihydro-1H-quinazolin-2-one
CID 90275263
CID 159251036
CID 159251036

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-3,4-dihydro-1H-quinazoline-4-carboxylate?
The IUPAC name of ethyl 2-oxo-3,4-dihydro-1H-quinazoline-4-carboxylate (CID 22956885) is ethyl 2-oxo-3,4-dihydro-1H-quinazoline-4-carboxylate.
What is the SMILES notation for ethyl 2-oxo-3,4-dihydro-1H-quinazoline-4-carboxylate?
The canonical SMILES for ethyl 2-oxo-3,4-dihydro-1H-quinazoline-4-carboxylate is CCOC(=O)C1NC(=O)Nc2ccccc21.
What is the InChIKey of ethyl 2-oxo-3,4-dihydro-1H-quinazoline-4-carboxylate?
The InChIKey is FYAWSVLQFNVLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-2-16-10(14)9-7-5-3-4-6-8(7)12-11(15)13-9/h3-6,9H,2H2,1H3,(H2,12,13,15).
What are the key properties of ethyl 2-oxo-3,4-dihydro-1H-quinazoline-4-carboxylate?
ethyl 2-oxo-3,4-dihydro-1H-quinazoline-4-carboxylate has a molecular weight of 220.23 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-3,4-dihydro-1H-quinazoline-4-carboxylate is sourced from PubChem (CID 22956885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).