ethyl 2-(2-oxo-3,4-dihydro-1H-quinazolin-4-yl)acetate

C12H14N2O3 — CID 53474520

IUPACethyl 2-(2-oxo-3,4-dihydro-1H-quinazolin-4-yl)acetate
SMILESCCOC(=O)CC1NC(=O)Nc2ccccc21
InChIInChI=1S/C12H14N2O3/c1-2-17-11(15)7-10-8-5-3-4-6-9(8)13-12(16)14-10/h3-6,10H,2,7H2,1H3,(H2,13,14,16)
InChIKeyBWFXDPIESQPDIJ-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.82
Rot. Bonds3

About ethyl 2-(2-oxo-3,4-dihydro-1H-quinazolin-4-yl)acetate

ethyl 2-(2-oxo-3,4-dihydro-1H-quinazolin-4-yl)acetate (PubChem CID 53474520) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is ethyl 2-(2-oxo-3,4-dihydro-1H-quinazolin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-oxo-3,4-dihydro-1H-quinazolin-4-yl)acetate
PubChem CID53474520
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Nameethyl 2-(2-oxo-3,4-dihydro-1H-quinazolin-4-yl)acetate
SMILESCCOC(=O)CC1NC(=O)Nc2ccccc21
InChIInChI=1S/C12H14N2O3/c1-2-17-11(15)7-10-8-5-3-4-6-9(8)13-12(16)14-10/h3-6,10H,2,7H2,1H3,(H2,13,14,16)
InChIKeyBWFXDPIESQPDIJ-UHFFFAOYSA-N
XLogP1.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-oxo-3,4-dihydro-1H-quinazoline-4-carboxylate
CID 22956885
ethyl 2-(6,11-dihydrobenzo[c][1,5]benzothiazepin-6-yl)acetate
CID 11066499
4-prop-2-enyl-3,4-dihydro-1H-quinazolin-2-one
CID 54023611
ethyl 2-(1,3-dioxoinden-2-yl)acetate
CID 13130488
diethyl 2-(2-oxo-1,3-dihydroindol-3-yl)propanedioate
CID 11460508
ethyl (4S)-4-(2-ethoxy-2-oxoethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 92981422
ethyl 2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)acetate
CID 132542519
4-tert-butyl-3,4-dihydro-1H-quinazolin-2-one
CID 90275263
ethyl 4-hydroxy-2-methyl-1,4-dihydroquinoline-3-carboxylate
CID 140989258
ethyl 2-(4,5-dihydropyrrolo[1,2-b][1,2,5]benzothiadiazepin-4-yl)acetate
CID 91273270
ethyl 2-(7-methoxy-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetate
CID 13155666
ethyl (4R)-6-methyl-4-naphthalen-1-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 691366

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-oxo-3,4-dihydro-1H-quinazolin-4-yl)acetate?
The IUPAC name of ethyl 2-(2-oxo-3,4-dihydro-1H-quinazolin-4-yl)acetate (CID 53474520) is ethyl 2-(2-oxo-3,4-dihydro-1H-quinazolin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(2-oxo-3,4-dihydro-1H-quinazolin-4-yl)acetate?
The canonical SMILES for ethyl 2-(2-oxo-3,4-dihydro-1H-quinazolin-4-yl)acetate is CCOC(=O)CC1NC(=O)Nc2ccccc21.
What is the InChIKey of ethyl 2-(2-oxo-3,4-dihydro-1H-quinazolin-4-yl)acetate?
The InChIKey is BWFXDPIESQPDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-2-17-11(15)7-10-8-5-3-4-6-9(8)13-12(16)14-10/h3-6,10H,2,7H2,1H3,(H2,13,14,16).
What are the key properties of ethyl 2-(2-oxo-3,4-dihydro-1H-quinazolin-4-yl)acetate?
ethyl 2-(2-oxo-3,4-dihydro-1H-quinazolin-4-yl)acetate has a molecular weight of 234.25 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-oxo-3,4-dihydro-1H-quinazolin-4-yl)acetate is sourced from PubChem (CID 53474520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).