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

C13H13ClN2 — CID 107628750

IUPAC5-chloro-8-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESCc1ccc(Cl)c2nc3c(c(N)c12)CCC3
InChIInChI=1S/C13H13ClN2/c1-7-5-6-9(14)13-11(7)12(15)8-3-2-4-10(8)16-13/h5-6H,2-4H2,1H3,(H2,15,16)
InChIKeyRFEGWPIALLCDLO-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.27
Rot. Bonds

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

5-chloro-8-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (PubChem CID 107628750) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 5-chloro-8-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.

Molecular Properties

Compound Name5-chloro-8-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
PubChem CID107628750
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name5-chloro-8-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESCc1ccc(Cl)c2nc3c(c(N)c12)CCC3
InChIInChI=1S/C13H13ClN2/c1-7-5-6-9(14)13-11(7)12(15)8-3-2-4-10(8)16-13/h5-6H,2-4H2,1H3,(H2,15,16)
InChIKeyRFEGWPIALLCDLO-UHFFFAOYSA-N
XLogP3.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The IUPAC name of 5-chloro-8-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (CID 107628750) is 5-chloro-8-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.
What is the SMILES notation for 5-chloro-8-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The canonical SMILES for 5-chloro-8-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is Cc1ccc(Cl)c2nc3c(c(N)c12)CCC3.
What is the InChIKey of 5-chloro-8-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The InChIKey is RFEGWPIALLCDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c1-7-5-6-9(14)13-11(7)12(15)8-3-2-4-10(8)16-13/h5-6H,2-4H2,1H3,(H2,15,16).
What are the key properties of 5-chloro-8-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
5-chloro-8-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine has a molecular weight of 232.71 g/mol, XLogP of 3.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is sourced from PubChem (CID 107628750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).