3-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[f]quinoline

C18H21N3 — CID 10636405

IUPAC3-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[f]quinoline
SMILESCN1CCN(c2ccc3c(n2)CCc2ccccc2-3)CC1
InChIInChI=1S/C18H21N3/c1-20-10-12-21(13-11-20)18-9-7-16-15-5-3-2-4-14(15)6-8-17(16)19-18/h2-5,7,9H,6,8,10-13H2,1H3
InChIKeyUCGVNHNEDNJYRU-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.60
Rot. Bonds1

About 3-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[f]quinoline

3-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[f]quinoline (PubChem CID 10636405) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[f]quinoline.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[f]quinoline
PubChem CID10636405
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name3-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[f]quinoline
SMILESCN1CCN(c2ccc3c(n2)CCc2ccccc2-3)CC1
InChIInChI=1S/C18H21N3/c1-20-10-12-21(13-11-20)18-9-7-16-15-5-3-2-4-14(15)6-8-17(16)19-18/h2-5,7,9H,6,8,10-13H2,1H3
InChIKeyUCGVNHNEDNJYRU-UHFFFAOYSA-N
XLogP2.60
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[f]quinoline?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[f]quinoline (CID 10636405) is 3-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[f]quinoline.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[f]quinoline?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[f]quinoline is CN1CCN(c2ccc3c(n2)CCc2ccccc2-3)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[f]quinoline?
The InChIKey is UCGVNHNEDNJYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-20-10-12-21(13-11-20)18-9-7-16-15-5-3-2-4-14(15)6-8-17(16)19-18/h2-5,7,9H,6,8,10-13H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[f]quinoline?
3-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[f]quinoline has a molecular weight of 279.39 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[f]quinoline is sourced from PubChem (CID 10636405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).