2-[(3Z,5Z)-4-fluoroocta-1,3,5,7-tetraen-3-yl]-5-methylquinazoline

C17H15FN2 — CID 130340466

IUPAC2-[(3Z,5Z)-4-fluoroocta-1,3,5,7-tetraen-3-yl]-5-methylquinazoline
SMILESC=C/C=C\C(F)=C(/C=C)c1ncc2c(C)cccc2n1
InChIInChI=1S/C17H15FN2/c1-4-6-9-15(18)13(5-2)17-19-11-14-12(3)8-7-10-16(14)20-17/h4-11H,1-2H2,3H3/b9-6-,15-13-
InChIKeyHSKCLZVRBOUPGP-LTBHIABHSA-N
MW266.32 g/mol
LogP4.55
Rot. Bonds4

About 2-[(3Z,5Z)-4-fluoroocta-1,3,5,7-tetraen-3-yl]-5-methylquinazoline

2-[(3Z,5Z)-4-fluoroocta-1,3,5,7-tetraen-3-yl]-5-methylquinazoline (PubChem CID 130340466) has the molecular formula C17H15FN2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[(3Z,5Z)-4-fluoroocta-1,3,5,7-tetraen-3-yl]-5-methylquinazoline.

Molecular Properties

Compound Name2-[(3Z,5Z)-4-fluoroocta-1,3,5,7-tetraen-3-yl]-5-methylquinazoline
PubChem CID130340466
Molecular FormulaC17H15FN2
Molecular Weight266.32 g/mol
Exact Mass266.12
IUPAC Name2-[(3Z,5Z)-4-fluoroocta-1,3,5,7-tetraen-3-yl]-5-methylquinazoline
SMILESC=C/C=C\C(F)=C(/C=C)c1ncc2c(C)cccc2n1
InChIInChI=1S/C17H15FN2/c1-4-6-9-15(18)13(5-2)17-19-11-14-12(3)8-7-10-16(14)20-17/h4-11H,1-2H2,3H3/b9-6-,15-13-
InChIKeyHSKCLZVRBOUPGP-LTBHIABHSA-N
XLogP4.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 54.55
H-Bond Donors ≤ 50
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 2-[(3Z,5Z)-4-fluoroocta-1,3,5,7-tetraen-3-yl]-5-methylquinazoline?
The IUPAC name of 2-[(3Z,5Z)-4-fluoroocta-1,3,5,7-tetraen-3-yl]-5-methylquinazoline (CID 130340466) is 2-[(3Z,5Z)-4-fluoroocta-1,3,5,7-tetraen-3-yl]-5-methylquinazoline.
What is the SMILES notation for 2-[(3Z,5Z)-4-fluoroocta-1,3,5,7-tetraen-3-yl]-5-methylquinazoline?
The canonical SMILES for 2-[(3Z,5Z)-4-fluoroocta-1,3,5,7-tetraen-3-yl]-5-methylquinazoline is C=C/C=C\C(F)=C(/C=C)c1ncc2c(C)cccc2n1.
What is the InChIKey of 2-[(3Z,5Z)-4-fluoroocta-1,3,5,7-tetraen-3-yl]-5-methylquinazoline?
The InChIKey is HSKCLZVRBOUPGP-LTBHIABHSA-N. The full InChI is InChI=1S/C17H15FN2/c1-4-6-9-15(18)13(5-2)17-19-11-14-12(3)8-7-10-16(14)20-17/h4-11H,1-2H2,3H3/b9-6-,15-13-.
What are the key properties of 2-[(3Z,5Z)-4-fluoroocta-1,3,5,7-tetraen-3-yl]-5-methylquinazoline?
2-[(3Z,5Z)-4-fluoroocta-1,3,5,7-tetraen-3-yl]-5-methylquinazoline has a molecular weight of 266.32 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z,5Z)-4-fluoroocta-1,3,5,7-tetraen-3-yl]-5-methylquinazoline is sourced from PubChem (CID 130340466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).