ethyl 4-oxo-3H-quinazoline-2-carboxylate

C11H10N2O3 — CID 135437466

IUPACethyl 4-oxo-3H-quinazoline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C11H10N2O3/c1-2-16-11(15)9-12-8-6-4-3-5-7(8)10(14)13-9/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeyBMCAWNQKVVTNFP-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.10
Rot. Bonds2

About ethyl 4-oxo-3H-quinazoline-2-carboxylate

ethyl 4-oxo-3H-quinazoline-2-carboxylate (PubChem CID 135437466) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is ethyl 4-oxo-3H-quinazoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-3H-quinazoline-2-carboxylate
PubChem CID135437466
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Nameethyl 4-oxo-3H-quinazoline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C11H10N2O3/c1-2-16-11(15)9-12-8-6-4-3-5-7(8)10(14)13-9/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeyBMCAWNQKVVTNFP-UHFFFAOYSA-N
XLogP1.10
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-3H-quinazoline-2-carboxylate?
The IUPAC name of ethyl 4-oxo-3H-quinazoline-2-carboxylate (CID 135437466) is ethyl 4-oxo-3H-quinazoline-2-carboxylate.
What is the SMILES notation for ethyl 4-oxo-3H-quinazoline-2-carboxylate?
The canonical SMILES for ethyl 4-oxo-3H-quinazoline-2-carboxylate is CCOC(=O)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of ethyl 4-oxo-3H-quinazoline-2-carboxylate?
The InChIKey is BMCAWNQKVVTNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-2-16-11(15)9-12-8-6-4-3-5-7(8)10(14)13-9/h3-6H,2H2,1H3,(H,12,13,14).
What are the key properties of ethyl 4-oxo-3H-quinazoline-2-carboxylate?
ethyl 4-oxo-3H-quinazoline-2-carboxylate has a molecular weight of 218.21 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-3H-quinazoline-2-carboxylate is sourced from PubChem (CID 135437466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).