3,7-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline

C20H22N4 — CID 2851670

IUPAC3,7-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline
SMILESCc1ccc2cc(C)c(N3CCN(c4ccccn4)CC3)nc2c1
InChIInChI=1S/C20H22N4/c1-15-6-7-17-14-16(2)20(22-18(17)13-15)24-11-9-23(10-12-24)19-5-3-4-8-21-19/h3-8,13-14H,9-12H2,1-2H3
InChIKeyLYTRGAWLJLRTGI-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.57
Rot. Bonds2

About 3,7-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline

3,7-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline (PubChem CID 2851670) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3,7-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name3,7-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline
PubChem CID2851670
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name3,7-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline
SMILESCc1ccc2cc(C)c(N3CCN(c4ccccn4)CC3)nc2c1
InChIInChI=1S/C20H22N4/c1-15-6-7-17-14-16(2)20(22-18(17)13-15)24-11-9-23(10-12-24)19-5-3-4-8-21-19/h3-8,13-14H,9-12H2,1-2H3
InChIKeyLYTRGAWLJLRTGI-UHFFFAOYSA-N
XLogP3.57
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline?
The IUPAC name of 3,7-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline (CID 2851670) is 3,7-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline.
What is the SMILES notation for 3,7-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline?
The canonical SMILES for 3,7-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline is Cc1ccc2cc(C)c(N3CCN(c4ccccn4)CC3)nc2c1.
What is the InChIKey of 3,7-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline?
The InChIKey is LYTRGAWLJLRTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-15-6-7-17-14-16(2)20(22-18(17)13-15)24-11-9-23(10-12-24)19-5-3-4-8-21-19/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 3,7-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline?
3,7-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline has a molecular weight of 318.42 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline is sourced from PubChem (CID 2851670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).