ethyl 4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate

C11H15N3O3 — CID 15284093

IUPACethyl 4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate
SMILESCCOC(=O)C1CCc2[nH]c(=O)nc(N)c2C1
InChIInChI=1S/C11H15N3O3/c1-2-17-10(15)6-3-4-8-7(5-6)9(12)14-11(16)13-8/h6H,2-5H2,1H3,(H3,12,13,14,16)
InChIKeyFSGLPXJYHIEWHS-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.02
Rot. Bonds2

About ethyl 4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate

ethyl 4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate (PubChem CID 15284093) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is ethyl 4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate
PubChem CID15284093
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Nameethyl 4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate
SMILESCCOC(=O)C1CCc2[nH]c(=O)nc(N)c2C1
InChIInChI=1S/C11H15N3O3/c1-2-17-10(15)6-3-4-8-7(5-6)9(12)14-11(16)13-8/h6H,2-5H2,1H3,(H3,12,13,14,16)
InChIKeyFSGLPXJYHIEWHS-UHFFFAOYSA-N
XLogP0.02
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate?
The IUPAC name of ethyl 4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate (CID 15284093) is ethyl 4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate?
The canonical SMILES for ethyl 4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate is CCOC(=O)C1CCc2[nH]c(=O)nc(N)c2C1.
What is the InChIKey of ethyl 4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate?
The InChIKey is FSGLPXJYHIEWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-17-10(15)6-3-4-8-7(5-6)9(12)14-11(16)13-8/h6H,2-5H2,1H3,(H3,12,13,14,16).
What are the key properties of ethyl 4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate?
ethyl 4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate has a molecular weight of 237.26 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate is sourced from PubChem (CID 15284093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).