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

C13H12ClIN2 — CID 107628867

IUPAC7-chloro-5-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESCNc1c2c(nc3c(I)cc(Cl)cc13)CCC2
InChIInChI=1S/C13H12ClIN2/c1-16-12-8-3-2-4-11(8)17-13-9(12)5-7(14)6-10(13)15/h5-6H,2-4H2,1H3,(H,16,17)
InChIKeyPYXSBVLAOMKSLW-UHFFFAOYSA-N
MW358.61 g/mol
LogP4.02
Rot. Bonds1

About 7-chloro-5-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

7-chloro-5-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (PubChem CID 107628867) has the molecular formula C13H12ClIN2 and a molecular weight of 358.61 g/mol. Its IUPAC name is 7-chloro-5-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.

Molecular Properties

Compound Name7-chloro-5-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
PubChem CID107628867
Molecular FormulaC13H12ClIN2
Molecular Weight358.61 g/mol
Exact Mass357.97
IUPAC Name7-chloro-5-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESCNc1c2c(nc3c(I)cc(Cl)cc13)CCC2
InChIInChI=1S/C13H12ClIN2/c1-16-12-8-3-2-4-11(8)17-13-9(12)5-7(14)6-10(13)15/h5-6H,2-4H2,1H3,(H,16,17)
InChIKeyPYXSBVLAOMKSLW-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 7-chloro-5-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine with MolForge

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Launch Full Analysis

Related Compounds

7-chloro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine
CID 62202376
5-chloro-N,7-dimethyl-1,2,3,4-tetrahydroacridin-9-amine
CID 63480213
5,7-difluoro-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 55045655
5-chloro-8-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 114260954
7-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62202165
7-bromo-N,5-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62202889
(7-chloro-5-methyl-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
CID 63482072
8-chloro-N-ethyl-6-iodo-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 107628895
N-ethyl-7-fluoro-5-iodo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 79771313
5,7-dichloro-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 63481227
(7-chloro-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
CID 62251323
7-chloro-5-methyl-N-propyl-1,2,3,4-tetrahydroacridin-9-amine
CID 63480982

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The IUPAC name of 7-chloro-5-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (CID 107628867) is 7-chloro-5-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.
What is the SMILES notation for 7-chloro-5-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The canonical SMILES for 7-chloro-5-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is CNc1c2c(nc3c(I)cc(Cl)cc13)CCC2.
What is the InChIKey of 7-chloro-5-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The InChIKey is PYXSBVLAOMKSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClIN2/c1-16-12-8-3-2-4-11(8)17-13-9(12)5-7(14)6-10(13)15/h5-6H,2-4H2,1H3,(H,16,17).
What are the key properties of 7-chloro-5-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
7-chloro-5-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 7-chloro-5-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is sourced from PubChem (CID 107628867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).