4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[c]quinoline

C17H21N3 — CID 10061523

IUPAC4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[c]quinoline
SMILESCN1CCN(c2nc3ccccc3c3c2CCC3)CC1
InChIInChI=1S/C17H21N3/c1-19-9-11-20(12-10-19)17-15-7-4-6-13(15)14-5-2-3-8-16(14)18-17/h2-3,5,8H,4,6-7,9-12H2,1H3
InChIKeyCEBVPYLGYUSDAP-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.48
Rot. Bonds1

About 4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[c]quinoline

4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[c]quinoline (PubChem CID 10061523) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[c]quinoline.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[c]quinoline
PubChem CID10061523
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[c]quinoline
SMILESCN1CCN(c2nc3ccccc3c3c2CCC3)CC1
InChIInChI=1S/C17H21N3/c1-19-9-11-20(12-10-19)17-15-7-4-6-13(15)14-5-2-3-8-16(14)18-17/h2-3,5,8H,4,6-7,9-12H2,1H3
InChIKeyCEBVPYLGYUSDAP-UHFFFAOYSA-N
XLogP2.48
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[c]quinoline?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[c]quinoline (CID 10061523) is 4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[c]quinoline.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[c]quinoline?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[c]quinoline is CN1CCN(c2nc3ccccc3c3c2CCC3)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[c]quinoline?
The InChIKey is CEBVPYLGYUSDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-19-9-11-20(12-10-19)17-15-7-4-6-13(15)14-5-2-3-8-16(14)18-17/h2-3,5,8H,4,6-7,9-12H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[c]quinoline?
4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[c]quinoline has a molecular weight of 267.38 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[c]quinoline is sourced from PubChem (CID 10061523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).