5,7-dichloro-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

C15H16Cl2N2 — CID 63481227

IUPAC5,7-dichloro-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESCCCNc1c2c(nc3c(Cl)cc(Cl)cc13)CCC2
InChIInChI=1S/C15H16Cl2N2/c1-2-6-18-14-10-4-3-5-13(10)19-15-11(14)7-9(16)8-12(15)17/h7-8H,2-6H2,1H3,(H,18,19)
InChIKeyZKIPJXONHHKCFJ-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.85
Rot. Bonds3

About 5,7-dichloro-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

5,7-dichloro-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (PubChem CID 63481227) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 5,7-dichloro-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.

Molecular Properties

Compound Name5,7-dichloro-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
PubChem CID63481227
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Name5,7-dichloro-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESCCCNc1c2c(nc3c(Cl)cc(Cl)cc13)CCC2
InChIInChI=1S/C15H16Cl2N2/c1-2-6-18-14-10-4-3-5-13(10)19-15-11(14)7-9(16)8-12(15)17/h7-8H,2-6H2,1H3,(H,18,19)
InChIKeyZKIPJXONHHKCFJ-UHFFFAOYSA-N
XLogP4.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The IUPAC name of 5,7-dichloro-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (CID 63481227) is 5,7-dichloro-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.
What is the SMILES notation for 5,7-dichloro-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The canonical SMILES for 5,7-dichloro-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is CCCNc1c2c(nc3c(Cl)cc(Cl)cc13)CCC2.
What is the InChIKey of 5,7-dichloro-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The InChIKey is ZKIPJXONHHKCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-2-6-18-14-10-4-3-5-13(10)19-15-11(14)7-9(16)8-12(15)17/h7-8H,2-6H2,1H3,(H,18,19).
What are the key properties of 5,7-dichloro-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
5,7-dichloro-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine has a molecular weight of 295.21 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is sourced from PubChem (CID 63481227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).