6-ethenyl-2-iodo-5-[(Z)-prop-1-enyl]quinazoline

C13H11IN2 — CID 155153283

IUPAC6-ethenyl-2-iodo-5-[(Z)-prop-1-enyl]quinazoline
SMILESC=Cc1ccc2nc(I)ncc2c1/C=C\C
InChIInChI=1S/C13H11IN2/c1-3-5-10-9(4-2)6-7-12-11(10)8-15-13(14)16-12/h3-8H,2H2,1H3/b5-3-
InChIKeyZAGMYRTWJNBWNJ-HYXAFXHYSA-N
MW322.15 g/mol
LogP3.91
Rot. Bonds2

About 6-ethenyl-2-iodo-5-[(Z)-prop-1-enyl]quinazoline

6-ethenyl-2-iodo-5-[(Z)-prop-1-enyl]quinazoline (PubChem CID 155153283) has the molecular formula C13H11IN2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 6-ethenyl-2-iodo-5-[(Z)-prop-1-enyl]quinazoline.

Molecular Properties

Compound Name6-ethenyl-2-iodo-5-[(Z)-prop-1-enyl]quinazoline
PubChem CID155153283
Molecular FormulaC13H11IN2
Molecular Weight322.15 g/mol
Exact Mass322.00
IUPAC Name6-ethenyl-2-iodo-5-[(Z)-prop-1-enyl]quinazoline
SMILESC=Cc1ccc2nc(I)ncc2c1/C=C\C
InChIInChI=1S/C13H11IN2/c1-3-5-10-9(4-2)6-7-12-11(10)8-15-13(14)16-12/h3-8H,2H2,1H3/b5-3-
InChIKeyZAGMYRTWJNBWNJ-HYXAFXHYSA-N
XLogP3.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-2-iodo-5-[(Z)-prop-1-enyl]quinazoline?
The IUPAC name of 6-ethenyl-2-iodo-5-[(Z)-prop-1-enyl]quinazoline (CID 155153283) is 6-ethenyl-2-iodo-5-[(Z)-prop-1-enyl]quinazoline.
What is the SMILES notation for 6-ethenyl-2-iodo-5-[(Z)-prop-1-enyl]quinazoline?
The canonical SMILES for 6-ethenyl-2-iodo-5-[(Z)-prop-1-enyl]quinazoline is C=Cc1ccc2nc(I)ncc2c1/C=C\C.
What is the InChIKey of 6-ethenyl-2-iodo-5-[(Z)-prop-1-enyl]quinazoline?
The InChIKey is ZAGMYRTWJNBWNJ-HYXAFXHYSA-N. The full InChI is InChI=1S/C13H11IN2/c1-3-5-10-9(4-2)6-7-12-11(10)8-15-13(14)16-12/h3-8H,2H2,1H3/b5-3-.
What are the key properties of 6-ethenyl-2-iodo-5-[(Z)-prop-1-enyl]quinazoline?
6-ethenyl-2-iodo-5-[(Z)-prop-1-enyl]quinazoline has a molecular weight of 322.15 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-2-iodo-5-[(Z)-prop-1-enyl]quinazoline is sourced from PubChem (CID 155153283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).