3-iodo-2-phenyl-5,6,7,8-tetrahydroquinoline

C15H14IN — CID 134858637

IUPAC3-iodo-2-phenyl-5,6,7,8-tetrahydroquinoline
SMILESIc1cc2c(nc1-c1ccccc1)CCCC2
InChIInChI=1S/C15H14IN/c16-13-10-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2
InChIKeyFBCDVMLKRZHYIV-UHFFFAOYSA-N
MW335.19 g/mol
LogP4.23
Rot. Bonds1

About 3-iodo-2-phenyl-5,6,7,8-tetrahydroquinoline

3-iodo-2-phenyl-5,6,7,8-tetrahydroquinoline (PubChem CID 134858637) has the molecular formula C15H14IN and a molecular weight of 335.19 g/mol. Its IUPAC name is 3-iodo-2-phenyl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name3-iodo-2-phenyl-5,6,7,8-tetrahydroquinoline
PubChem CID134858637
Molecular FormulaC15H14IN
Molecular Weight335.19 g/mol
Exact Mass335.02
IUPAC Name3-iodo-2-phenyl-5,6,7,8-tetrahydroquinoline
SMILESIc1cc2c(nc1-c1ccccc1)CCCC2
InChIInChI=1S/C15H14IN/c16-13-10-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2
InChIKeyFBCDVMLKRZHYIV-UHFFFAOYSA-N
XLogP4.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 54.23
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 3-iodo-2-phenyl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 3-iodo-2-phenyl-5,6,7,8-tetrahydroquinoline (CID 134858637) is 3-iodo-2-phenyl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 3-iodo-2-phenyl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 3-iodo-2-phenyl-5,6,7,8-tetrahydroquinoline is Ic1cc2c(nc1-c1ccccc1)CCCC2.
What is the InChIKey of 3-iodo-2-phenyl-5,6,7,8-tetrahydroquinoline?
The InChIKey is FBCDVMLKRZHYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14IN/c16-13-10-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2.
What are the key properties of 3-iodo-2-phenyl-5,6,7,8-tetrahydroquinoline?
3-iodo-2-phenyl-5,6,7,8-tetrahydroquinoline has a molecular weight of 335.19 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-phenyl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 134858637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).