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

C25H25N5O2 — CID 24733452

IUPAC8-(2,4-dimethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
SMILESCOc1ccc(-c2cccc3ccc(N4CCN(c5ncccn5)CC4)nc23)c(OC)c1
InChIInChI=1S/C25H25N5O2/c1-31-19-8-9-20(22(17-19)32-2)21-6-3-5-18-7-10-23(28-24(18)21)29-13-15-30(16-14-29)25-26-11-4-12-27-25/h3-12,17H,13-16H2,1-2H3
InChIKeyKKBMFLRSLROKLX-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.04
Rot. Bonds5

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

8-(2,4-dimethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline (PubChem CID 24733452) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 8-(2,4-dimethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name8-(2,4-dimethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
PubChem CID24733452
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name8-(2,4-dimethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
SMILESCOc1ccc(-c2cccc3ccc(N4CCN(c5ncccn5)CC4)nc23)c(OC)c1
InChIInChI=1S/C25H25N5O2/c1-31-19-8-9-20(22(17-19)32-2)21-6-3-5-18-7-10-23(28-24(18)21)29-13-15-30(16-14-29)25-26-11-4-12-27-25/h3-12,17H,13-16H2,1-2H3
InChIKeyKKBMFLRSLROKLX-UHFFFAOYSA-N
XLogP4.04
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dimethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline?
The IUPAC name of 8-(2,4-dimethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline (CID 24733452) is 8-(2,4-dimethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline.
What is the SMILES notation for 8-(2,4-dimethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline?
The canonical SMILES for 8-(2,4-dimethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline is COc1ccc(-c2cccc3ccc(N4CCN(c5ncccn5)CC4)nc23)c(OC)c1.
What is the InChIKey of 8-(2,4-dimethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline?
The InChIKey is KKBMFLRSLROKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-31-19-8-9-20(22(17-19)32-2)21-6-3-5-18-7-10-23(28-24(18)21)29-13-15-30(16-14-29)25-26-11-4-12-27-25/h3-12,17H,13-16H2,1-2H3.
What are the key properties of 8-(2,4-dimethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline?
8-(2,4-dimethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline has a molecular weight of 427.51 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dimethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline is sourced from PubChem (CID 24733452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).