[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-oxoquinazolin-3-yl)acetate

C17H14N4O5S — CID 7994898

IUPAC[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESO=C(COC(=O)Cn1cnc2ccccc2c1=O)NNC(=O)c1cccs1
InChIInChI=1S/C17H14N4O5S/c22-14(19-20-16(24)13-6-3-7-27-13)9-26-15(23)8-21-10-18-12-5-2-1-4-11(12)17(21)25/h1-7,10H,8-9H2,(H,19,22)(H,20,24)
InChIKeyIOMFAKOSOVMVON-UHFFFAOYSA-N
MW386.39 g/mol
LogP0.46
Rot. Bonds5

About [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-oxoquinazolin-3-yl)acetate

[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 7994898) has the molecular formula C17H14N4O5S and a molecular weight of 386.39 g/mol. Its IUPAC name is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID7994898
Molecular FormulaC17H14N4O5S
Molecular Weight386.39 g/mol
Exact Mass386.07
IUPAC Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESO=C(COC(=O)Cn1cnc2ccccc2c1=O)NNC(=O)c1cccs1
InChIInChI=1S/C17H14N4O5S/c22-14(19-20-16(24)13-6-3-7-27-13)9-26-15(23)8-21-10-18-12-5-2-1-4-11(12)17(21)25/h1-7,10H,8-9H2,(H,19,22)(H,20,24)
InChIKeyIOMFAKOSOVMVON-UHFFFAOYSA-N
XLogP0.46
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-oxoquinazolin-3-yl)acetate (CID 7994898) is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-oxoquinazolin-3-yl)acetate is O=C(COC(=O)Cn1cnc2ccccc2c1=O)NNC(=O)c1cccs1.
What is the InChIKey of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is IOMFAKOSOVMVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O5S/c22-14(19-20-16(24)13-6-3-7-27-13)9-26-15(23)8-21-10-18-12-5-2-1-4-11(12)17(21)25/h1-7,10H,8-9H2,(H,19,22)(H,20,24).
What are the key properties of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-oxoquinazolin-3-yl)acetate?
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 386.39 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 7994898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).