ethyl 2-[2-(2-chloroquinazolin-4-yl)hydrazinyl]-2-oxoacetate

C12H11ClN4O3 — CID 13191626

IUPACethyl 2-[2-(2-chloroquinazolin-4-yl)hydrazinyl]-2-oxoacetate
SMILESCCOC(=O)C(=O)NNc1nc(Cl)nc2ccccc12
InChIInChI=1S/C12H11ClN4O3/c1-2-20-11(19)10(18)17-16-9-7-5-3-4-6-8(7)14-12(13)15-9/h3-6H,2H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyPRIFBDXULLDYAC-UHFFFAOYSA-N
MW294.70 g/mol
LogP1.29
Rot. Bonds3

About ethyl 2-[2-(2-chloroquinazolin-4-yl)hydrazinyl]-2-oxoacetate

ethyl 2-[2-(2-chloroquinazolin-4-yl)hydrazinyl]-2-oxoacetate (PubChem CID 13191626) has the molecular formula C12H11ClN4O3 and a molecular weight of 294.70 g/mol. Its IUPAC name is ethyl 2-[2-(2-chloroquinazolin-4-yl)hydrazinyl]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-chloroquinazolin-4-yl)hydrazinyl]-2-oxoacetate
PubChem CID13191626
Molecular FormulaC12H11ClN4O3
Molecular Weight294.70 g/mol
Exact Mass294.05
IUPAC Nameethyl 2-[2-(2-chloroquinazolin-4-yl)hydrazinyl]-2-oxoacetate
SMILESCCOC(=O)C(=O)NNc1nc(Cl)nc2ccccc12
InChIInChI=1S/C12H11ClN4O3/c1-2-20-11(19)10(18)17-16-9-7-5-3-4-6-8(7)14-12(13)15-9/h3-6H,2H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyPRIFBDXULLDYAC-UHFFFAOYSA-N
XLogP1.29
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-chloroquinazolin-4-yl)hydrazinyl]-2-oxoacetate?
The IUPAC name of ethyl 2-[2-(2-chloroquinazolin-4-yl)hydrazinyl]-2-oxoacetate (CID 13191626) is ethyl 2-[2-(2-chloroquinazolin-4-yl)hydrazinyl]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[2-(2-chloroquinazolin-4-yl)hydrazinyl]-2-oxoacetate?
The canonical SMILES for ethyl 2-[2-(2-chloroquinazolin-4-yl)hydrazinyl]-2-oxoacetate is CCOC(=O)C(=O)NNc1nc(Cl)nc2ccccc12.
What is the InChIKey of ethyl 2-[2-(2-chloroquinazolin-4-yl)hydrazinyl]-2-oxoacetate?
The InChIKey is PRIFBDXULLDYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O3/c1-2-20-11(19)10(18)17-16-9-7-5-3-4-6-8(7)14-12(13)15-9/h3-6H,2H2,1H3,(H,17,18)(H,14,15,16).
What are the key properties of ethyl 2-[2-(2-chloroquinazolin-4-yl)hydrazinyl]-2-oxoacetate?
ethyl 2-[2-(2-chloroquinazolin-4-yl)hydrazinyl]-2-oxoacetate has a molecular weight of 294.70 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-chloroquinazolin-4-yl)hydrazinyl]-2-oxoacetate is sourced from PubChem (CID 13191626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).