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

C12H11ClN2 — CID 3041348

IUPAC5-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESNc1c2c(nc3c(Cl)cccc13)CCC2
InChIInChI=1S/C12H11ClN2/c13-9-5-1-4-8-11(14)7-3-2-6-10(7)15-12(8)9/h1,4-5H,2-3,6H2,(H2,14,15)
InChIKeyLCECMIAATYVQDB-UHFFFAOYSA-N
MW218.69 g/mol
LogP2.96
Rot. Bonds

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

5-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (PubChem CID 3041348) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 5-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.

Molecular Properties

Compound Name5-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
PubChem CID3041348
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name5-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESNc1c2c(nc3c(Cl)cccc13)CCC2
InChIInChI=1S/C12H11ClN2/c13-9-5-1-4-8-11(14)7-3-2-6-10(7)15-12(8)9/h1,4-5H,2-3,6H2,(H2,14,15)
InChIKeyLCECMIAATYVQDB-UHFFFAOYSA-N
XLogP2.96
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The IUPAC name of 5-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (CID 3041348) is 5-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.
What is the SMILES notation for 5-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The canonical SMILES for 5-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is Nc1c2c(nc3c(Cl)cccc13)CCC2.
What is the InChIKey of 5-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The InChIKey is LCECMIAATYVQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c13-9-5-1-4-8-11(14)7-3-2-6-10(7)15-12(8)9/h1,4-5H,2-3,6H2,(H2,14,15).
What are the key properties of 5-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
5-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine has a molecular weight of 218.69 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is sourced from PubChem (CID 3041348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).