4,8-dimethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline

C19H21N5 — CID 1488106

IUPAC4,8-dimethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
SMILESCc1cc(N2CCN(c3ncccn3)CC2)nc2c(C)cccc12
InChIInChI=1S/C19H21N5/c1-14-5-3-6-16-15(2)13-17(22-18(14)16)23-9-11-24(12-10-23)19-20-7-4-8-21-19/h3-8,13H,9-12H2,1-2H3
InChIKeyOTDCRZZLIFZQRR-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.97
Rot. Bonds2

About 4,8-dimethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline

4,8-dimethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline (PubChem CID 1488106) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4,8-dimethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name4,8-dimethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
PubChem CID1488106
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name4,8-dimethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
SMILESCc1cc(N2CCN(c3ncccn3)CC2)nc2c(C)cccc12
InChIInChI=1S/C19H21N5/c1-14-5-3-6-16-15(2)13-17(22-18(14)16)23-9-11-24(12-10-23)19-20-7-4-8-21-19/h3-8,13H,9-12H2,1-2H3
InChIKeyOTDCRZZLIFZQRR-UHFFFAOYSA-N
XLogP2.97
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline?
The IUPAC name of 4,8-dimethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline (CID 1488106) is 4,8-dimethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline.
What is the SMILES notation for 4,8-dimethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline?
The canonical SMILES for 4,8-dimethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline is Cc1cc(N2CCN(c3ncccn3)CC2)nc2c(C)cccc12.
What is the InChIKey of 4,8-dimethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline?
The InChIKey is OTDCRZZLIFZQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-14-5-3-6-16-15(2)13-17(22-18(14)16)23-9-11-24(12-10-23)19-20-7-4-8-21-19/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 4,8-dimethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline?
4,8-dimethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline has a molecular weight of 319.41 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline is sourced from PubChem (CID 1488106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).