5-[(1Z)-buta-1,3-dienyl]-1,4-dihydroquinazoline

C12H12N2 — CID 88575613

IUPAC5-[(1Z)-buta-1,3-dienyl]-1,4-dihydroquinazoline
SMILESC=C/C=C\c1cccc2c1CN=CN2
InChIInChI=1S/C12H12N2/c1-2-3-5-10-6-4-7-12-11(10)8-13-9-14-12/h2-7,9H,1,8H2,(H,13,14)/b5-3-
InChIKeyUFOFMHXFPWJSJZ-HYXAFXHYSA-N
MW184.24 g/mol
LogP2.84
Rot. Bonds2

About 5-[(1Z)-buta-1,3-dienyl]-1,4-dihydroquinazoline

5-[(1Z)-buta-1,3-dienyl]-1,4-dihydroquinazoline (PubChem CID 88575613) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 5-[(1Z)-buta-1,3-dienyl]-1,4-dihydroquinazoline.

Molecular Properties

Compound Name5-[(1Z)-buta-1,3-dienyl]-1,4-dihydroquinazoline
PubChem CID88575613
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name5-[(1Z)-buta-1,3-dienyl]-1,4-dihydroquinazoline
SMILESC=C/C=C\c1cccc2c1CN=CN2
InChIInChI=1S/C12H12N2/c1-2-3-5-10-6-4-7-12-11(10)8-13-9-14-12/h2-7,9H,1,8H2,(H,13,14)/b5-3-
InChIKeyUFOFMHXFPWJSJZ-HYXAFXHYSA-N
XLogP2.84
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-1,4-dihydroquinazoline?
The IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-1,4-dihydroquinazoline (CID 88575613) is 5-[(1Z)-buta-1,3-dienyl]-1,4-dihydroquinazoline.
What is the SMILES notation for 5-[(1Z)-buta-1,3-dienyl]-1,4-dihydroquinazoline?
The canonical SMILES for 5-[(1Z)-buta-1,3-dienyl]-1,4-dihydroquinazoline is C=C/C=C\c1cccc2c1CN=CN2.
What is the InChIKey of 5-[(1Z)-buta-1,3-dienyl]-1,4-dihydroquinazoline?
The InChIKey is UFOFMHXFPWJSJZ-HYXAFXHYSA-N. The full InChI is InChI=1S/C12H12N2/c1-2-3-5-10-6-4-7-12-11(10)8-13-9-14-12/h2-7,9H,1,8H2,(H,13,14)/b5-3-.
What are the key properties of 5-[(1Z)-buta-1,3-dienyl]-1,4-dihydroquinazoline?
5-[(1Z)-buta-1,3-dienyl]-1,4-dihydroquinazoline has a molecular weight of 184.24 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z)-buta-1,3-dienyl]-1,4-dihydroquinazoline is sourced from PubChem (CID 88575613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).