7-[(Z)-5-iodohept-4-en-2-yl]quinoline

C16H18IN — CID 22901309

IUPAC7-[(Z)-5-iodohept-4-en-2-yl]quinoline
SMILESCC/C(I)=C/CC(C)c1ccc2cccnc2c1
InChIInChI=1S/C16H18IN/c1-3-15(17)9-6-12(2)14-8-7-13-5-4-10-18-16(13)11-14/h4-5,7-12H,3,6H2,1-2H3/b15-9-
InChIKeyYAUGFBMFQOSWDH-DHDCSXOGSA-N
MW351.23 g/mol
LogP5.46
Rot. Bonds4

About 7-[(Z)-5-iodohept-4-en-2-yl]quinoline

7-[(Z)-5-iodohept-4-en-2-yl]quinoline (PubChem CID 22901309) has the molecular formula C16H18IN and a molecular weight of 351.23 g/mol. Its IUPAC name is 7-[(Z)-5-iodohept-4-en-2-yl]quinoline.

Molecular Properties

Compound Name7-[(Z)-5-iodohept-4-en-2-yl]quinoline
PubChem CID22901309
Molecular FormulaC16H18IN
Molecular Weight351.23 g/mol
Exact Mass351.05
IUPAC Name7-[(Z)-5-iodohept-4-en-2-yl]quinoline
SMILESCC/C(I)=C/CC(C)c1ccc2cccnc2c1
InChIInChI=1S/C16H18IN/c1-3-15(17)9-6-12(2)14-8-7-13-5-4-10-18-16(13)11-14/h4-5,7-12H,3,6H2,1-2H3/b15-9-
InChIKeyYAUGFBMFQOSWDH-DHDCSXOGSA-N
XLogP5.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.23
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(Z)-5-iodohept-4-en-2-yl]quinoline?
The IUPAC name of 7-[(Z)-5-iodohept-4-en-2-yl]quinoline (CID 22901309) is 7-[(Z)-5-iodohept-4-en-2-yl]quinoline.
What is the SMILES notation for 7-[(Z)-5-iodohept-4-en-2-yl]quinoline?
The canonical SMILES for 7-[(Z)-5-iodohept-4-en-2-yl]quinoline is CC/C(I)=C/CC(C)c1ccc2cccnc2c1.
What is the InChIKey of 7-[(Z)-5-iodohept-4-en-2-yl]quinoline?
The InChIKey is YAUGFBMFQOSWDH-DHDCSXOGSA-N. The full InChI is InChI=1S/C16H18IN/c1-3-15(17)9-6-12(2)14-8-7-13-5-4-10-18-16(13)11-14/h4-5,7-12H,3,6H2,1-2H3/b15-9-.
What are the key properties of 7-[(Z)-5-iodohept-4-en-2-yl]quinoline?
7-[(Z)-5-iodohept-4-en-2-yl]quinoline has a molecular weight of 351.23 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(Z)-5-iodohept-4-en-2-yl]quinoline is sourced from PubChem (CID 22901309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).