N'-(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)prop-2-enehydrazide

C16H14N4O2S — CID 177168124

IUPACN'-(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)prop-2-enehydrazide
SMILESC=CC(=O)NNc1nc(-c2cccs2)nc2cccc(OC)c12
InChIInChI=1S/C16H14N4O2S/c1-3-13(21)19-20-16-14-10(6-4-7-11(14)22-2)17-15(18-16)12-8-5-9-23-12/h3-9H,1H2,2H3,(H,19,21)(H,17,18,20)
InChIKeyAOYQBRMCCFNZAC-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.00
Rot. Bonds5

About N'-(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)prop-2-enehydrazide

N'-(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)prop-2-enehydrazide (PubChem CID 177168124) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N'-(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)prop-2-enehydrazide.

Molecular Properties

Compound NameN'-(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)prop-2-enehydrazide
PubChem CID177168124
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC NameN'-(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)prop-2-enehydrazide
SMILESC=CC(=O)NNc1nc(-c2cccs2)nc2cccc(OC)c12
InChIInChI=1S/C16H14N4O2S/c1-3-13(21)19-20-16-14-10(6-4-7-11(14)22-2)17-15(18-16)12-8-5-9-23-12/h3-9H,1H2,2H3,(H,19,21)(H,17,18,20)
InChIKeyAOYQBRMCCFNZAC-UHFFFAOYSA-N
XLogP3.00
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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 N'-(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)prop-2-enehydrazide?
The IUPAC name of N'-(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)prop-2-enehydrazide (CID 177168124) is N'-(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)prop-2-enehydrazide.
What is the SMILES notation for N'-(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)prop-2-enehydrazide?
The canonical SMILES for N'-(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)prop-2-enehydrazide is C=CC(=O)NNc1nc(-c2cccs2)nc2cccc(OC)c12.
What is the InChIKey of N'-(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)prop-2-enehydrazide?
The InChIKey is AOYQBRMCCFNZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-3-13(21)19-20-16-14-10(6-4-7-11(14)22-2)17-15(18-16)12-8-5-9-23-12/h3-9H,1H2,2H3,(H,19,21)(H,17,18,20).
What are the key properties of N'-(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)prop-2-enehydrazide?
N'-(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)prop-2-enehydrazide has a molecular weight of 326.38 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)prop-2-enehydrazide is sourced from PubChem (CID 177168124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).