2-fluoro-4-iodo-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine

C17H20FIN2 — CID 79761506

IUPAC2-fluoro-4-iodo-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
SMILESCCCNc1c2c(nc3c(I)cc(F)cc13)CCCCC2
InChIInChI=1S/C17H20FIN2/c1-2-8-20-16-12-6-4-3-5-7-15(12)21-17-13(16)9-11(18)10-14(17)19/h9-10H,2-8H2,1H3,(H,20,21)
InChIKeyLZPIAVOOHZSWSU-UHFFFAOYSA-N
MW398.26 g/mol
LogP5.07
Rot. Bonds3

About 2-fluoro-4-iodo-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine

2-fluoro-4-iodo-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine (PubChem CID 79761506) has the molecular formula C17H20FIN2 and a molecular weight of 398.26 g/mol. Its IUPAC name is 2-fluoro-4-iodo-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine.

Molecular Properties

Compound Name2-fluoro-4-iodo-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
PubChem CID79761506
Molecular FormulaC17H20FIN2
Molecular Weight398.26 g/mol
Exact Mass398.07
IUPAC Name2-fluoro-4-iodo-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
SMILESCCCNc1c2c(nc3c(I)cc(F)cc13)CCCCC2
InChIInChI=1S/C17H20FIN2/c1-2-8-20-16-12-6-4-3-5-7-15(12)21-17-13(16)9-11(18)10-14(17)19/h9-10H,2-8H2,1H3,(H,20,21)
InChIKeyLZPIAVOOHZSWSU-UHFFFAOYSA-N
XLogP5.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.26
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-fluoro-4-iodo-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-iodo-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The IUPAC name of 2-fluoro-4-iodo-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine (CID 79761506) is 2-fluoro-4-iodo-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine.
What is the SMILES notation for 2-fluoro-4-iodo-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The canonical SMILES for 2-fluoro-4-iodo-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine is CCCNc1c2c(nc3c(I)cc(F)cc13)CCCCC2.
What is the InChIKey of 2-fluoro-4-iodo-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The InChIKey is LZPIAVOOHZSWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FIN2/c1-2-8-20-16-12-6-4-3-5-7-15(12)21-17-13(16)9-11(18)10-14(17)19/h9-10H,2-8H2,1H3,(H,20,21).
What are the key properties of 2-fluoro-4-iodo-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
2-fluoro-4-iodo-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine has a molecular weight of 398.26 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-iodo-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine is sourced from PubChem (CID 79761506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).