5-chloro-8-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

C13H12ClIN2 — CID 114260954

IUPAC5-chloro-8-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESCNc1c2c(nc3c(Cl)ccc(I)c13)CCC2
InChIInChI=1S/C13H12ClIN2/c1-16-12-7-3-2-4-10(7)17-13-8(14)5-6-9(15)11(12)13/h5-6H,2-4H2,1H3,(H,16,17)
InChIKeyZRRLPNVXVRDMBE-UHFFFAOYSA-N
MW358.61 g/mol
LogP4.02
Rot. Bonds1

About 5-chloro-8-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

5-chloro-8-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (PubChem CID 114260954) has the molecular formula C13H12ClIN2 and a molecular weight of 358.61 g/mol. Its IUPAC name is 5-chloro-8-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.

Molecular Properties

Compound Name5-chloro-8-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
PubChem CID114260954
Molecular FormulaC13H12ClIN2
Molecular Weight358.61 g/mol
Exact Mass357.97
IUPAC Name5-chloro-8-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESCNc1c2c(nc3c(Cl)ccc(I)c13)CCC2
InChIInChI=1S/C13H12ClIN2/c1-16-12-7-3-2-4-10(7)17-13-8(14)5-6-9(15)11(12)13/h5-6H,2-4H2,1H3,(H,16,17)
InChIKeyZRRLPNVXVRDMBE-UHFFFAOYSA-N
XLogP4.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.61
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-8-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine with MolForge

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Related Compounds

8-chloro-5-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62203080
7-chloro-5-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 107628867
5-chloro-8-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 107628750
5,8-difluoro-N,7-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 103587355
8-bromo-5-chloro-N-ethyl-1,2,3,4-tetrahydroacridin-9-amine
CID 63484393
7-chloro-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydroacridin-9-amine
CID 63479643
5-chloro-N,7-dimethyl-1,2,3,4-tetrahydroacridin-9-amine
CID 63480213
(1-chloro-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine
CID 55195202
5,7-difluoro-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 55045655
(3-iodo-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine
CID 114257979
7-bromo-5,8-difluoro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine
CID 107616780
7-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62202165

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The IUPAC name of 5-chloro-8-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (CID 114260954) is 5-chloro-8-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.
What is the SMILES notation for 5-chloro-8-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The canonical SMILES for 5-chloro-8-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is CNc1c2c(nc3c(Cl)ccc(I)c13)CCC2.
What is the InChIKey of 5-chloro-8-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The InChIKey is ZRRLPNVXVRDMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClIN2/c1-16-12-7-3-2-4-10(7)17-13-8(14)5-6-9(15)11(12)13/h5-6H,2-4H2,1H3,(H,16,17).
What are the key properties of 5-chloro-8-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
5-chloro-8-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine has a molecular weight of 358.61 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is sourced from PubChem (CID 114260954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).