2-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinoline

C18H21N3 — CID 10612720

IUPAC2-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinoline
SMILESCN1CCN(c2ccc3c(n2)-c2ccccc2CC3)CC1
InChIInChI=1S/C18H21N3/c1-20-10-12-21(13-11-20)17-9-8-15-7-6-14-4-2-3-5-16(14)18(15)19-17/h2-5,8-9H,6-7,10-13H2,1H3
InChIKeyBGYLGYXSGZOBGV-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.60
Rot. Bonds1

About 2-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinoline

2-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinoline (PubChem CID 10612720) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinoline.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinoline
PubChem CID10612720
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name2-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinoline
SMILESCN1CCN(c2ccc3c(n2)-c2ccccc2CC3)CC1
InChIInChI=1S/C18H21N3/c1-20-10-12-21(13-11-20)17-9-8-15-7-6-14-4-2-3-5-16(14)18(15)19-17/h2-5,8-9H,6-7,10-13H2,1H3
InChIKeyBGYLGYXSGZOBGV-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 2-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinoline?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinoline (CID 10612720) is 2-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinoline.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinoline?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinoline is CN1CCN(c2ccc3c(n2)-c2ccccc2CC3)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinoline?
The InChIKey is BGYLGYXSGZOBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-20-10-12-21(13-11-20)17-9-8-15-7-6-14-4-2-3-5-16(14)18(15)19-17/h2-5,8-9H,6-7,10-13H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinoline?
2-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]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 2-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinoline is sourced from PubChem (CID 10612720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).