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

C14H15IN2 — CID 63480869

IUPAC2-iodo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
SMILESNc1c2c(nc3ccc(I)cc13)CCCCC2
InChIInChI=1S/C14H15IN2/c15-9-6-7-13-11(8-9)14(16)10-4-2-1-3-5-12(10)17-13/h6-8H,1-5H2,(H2,16,17)
InChIKeyGIZWYGIYWFNYQH-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.69
Rot. Bonds

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

2-iodo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine (PubChem CID 63480869) has the molecular formula C14H15IN2 and a molecular weight of 338.19 g/mol. Its IUPAC name is 2-iodo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine.

Molecular Properties

Compound Name2-iodo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
PubChem CID63480869
Molecular FormulaC14H15IN2
Molecular Weight338.19 g/mol
Exact Mass338.03
IUPAC Name2-iodo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
SMILESNc1c2c(nc3ccc(I)cc13)CCCCC2
InChIInChI=1S/C14H15IN2/c15-9-6-7-13-11(8-9)14(16)10-4-2-1-3-5-12(10)17-13/h6-8H,1-5H2,(H2,16,17)
InChIKeyGIZWYGIYWFNYQH-UHFFFAOYSA-N
XLogP3.69
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4-tetrahydroacridin-9-amine;dihydroiodide
CID 89284205
7-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62202165
6,7-difluoro-1,2,3,4-tetrahydroacridin-9-amine
CID 62203448
2,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63351751
2-(2-methoxyphenoxy)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 164597055
boric acid;1,2,3,4-tetrahydroacridin-9-amine
CID 70251064
6-phenyl-1,2,3,4-tetrahydroacridin-9-amine
CID 19804321
6-methyl-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride
CID 164616381
methyliodanuidylethane;1,2,3,4-tetrahydroacridin-9-amine
CID 159322065
7-chloro-6-fluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 103996821
1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid
CID 130345703
9-iodo-1,2,3,4-tetrahydroacridine
CID 628104

Frequently Asked Questions

What is the IUPAC name of 2-iodo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The IUPAC name of 2-iodo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine (CID 63480869) is 2-iodo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine.
What is the SMILES notation for 2-iodo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The canonical SMILES for 2-iodo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine is Nc1c2c(nc3ccc(I)cc13)CCCCC2.
What is the InChIKey of 2-iodo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The InChIKey is GIZWYGIYWFNYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2/c15-9-6-7-13-11(8-9)14(16)10-4-2-1-3-5-12(10)17-13/h6-8H,1-5H2,(H2,16,17).
What are the key properties of 2-iodo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
2-iodo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine has a molecular weight of 338.19 g/mol, XLogP of 3.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine is sourced from PubChem (CID 63480869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).