4-methyl-2-(3-piperidin-1-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline

C21H27N3 — CID 135090647

IUPAC4-methyl-2-(3-piperidin-1-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline
SMILESCc1cc(N2CC(N3CCCCC3)C2)nc2cc3c(cc12)CCC3
InChIInChI=1S/C21H27N3/c1-15-10-21(24-13-18(14-24)23-8-3-2-4-9-23)22-20-12-17-7-5-6-16(17)11-19(15)20/h10-12,18H,2-9,13-14H2,1H3
InChIKeyKWPQGXPEZCAPHJ-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.71
Rot. Bonds2

About 4-methyl-2-(3-piperidin-1-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline

4-methyl-2-(3-piperidin-1-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline (PubChem CID 135090647) has the molecular formula C21H27N3 and a molecular weight of 321.47 g/mol. Its IUPAC name is 4-methyl-2-(3-piperidin-1-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline.

Molecular Properties

Compound Name4-methyl-2-(3-piperidin-1-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline
PubChem CID135090647
Molecular FormulaC21H27N3
Molecular Weight321.47 g/mol
Exact Mass321.22
IUPAC Name4-methyl-2-(3-piperidin-1-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline
SMILESCc1cc(N2CC(N3CCCCC3)C2)nc2cc3c(cc12)CCC3
InChIInChI=1S/C21H27N3/c1-15-10-21(24-13-18(14-24)23-8-3-2-4-9-23)22-20-12-17-7-5-6-16(17)11-19(15)20/h10-12,18H,2-9,13-14H2,1H3
InChIKeyKWPQGXPEZCAPHJ-UHFFFAOYSA-N
XLogP3.71
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-(3-piperidin-1-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-piperidin-1-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline?
The IUPAC name of 4-methyl-2-(3-piperidin-1-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline (CID 135090647) is 4-methyl-2-(3-piperidin-1-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline.
What is the SMILES notation for 4-methyl-2-(3-piperidin-1-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline?
The canonical SMILES for 4-methyl-2-(3-piperidin-1-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline is Cc1cc(N2CC(N3CCCCC3)C2)nc2cc3c(cc12)CCC3.
What is the InChIKey of 4-methyl-2-(3-piperidin-1-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline?
The InChIKey is KWPQGXPEZCAPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3/c1-15-10-21(24-13-18(14-24)23-8-3-2-4-9-23)22-20-12-17-7-5-6-16(17)11-19(15)20/h10-12,18H,2-9,13-14H2,1H3.
What are the key properties of 4-methyl-2-(3-piperidin-1-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline?
4-methyl-2-(3-piperidin-1-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline has a molecular weight of 321.47 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-piperidin-1-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline is sourced from PubChem (CID 135090647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).