3-(4-methylpiperazin-1-yl)-5-naphthalen-2-ylquinoline

C24H23N3 — CID 52937011

IUPAC3-(4-methylpiperazin-1-yl)-5-naphthalen-2-ylquinoline
SMILESCN1CCN(c2cnc3cccc(-c4ccc5ccccc5c4)c3c2)CC1
InChIInChI=1S/C24H23N3/c1-26-11-13-27(14-12-26)21-16-23-22(7-4-8-24(23)25-17-21)20-10-9-18-5-2-3-6-19(18)15-20/h2-10,15-17H,11-14H2,1H3
InChIKeyBXWKDQODKZWDDN-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.81
Rot. Bonds2

About 3-(4-methylpiperazin-1-yl)-5-naphthalen-2-ylquinoline

3-(4-methylpiperazin-1-yl)-5-naphthalen-2-ylquinoline (PubChem CID 52937011) has the molecular formula C24H23N3 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-5-naphthalen-2-ylquinoline.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-5-naphthalen-2-ylquinoline
PubChem CID52937011
Molecular FormulaC24H23N3
Molecular Weight353.47 g/mol
Exact Mass353.19
IUPAC Name3-(4-methylpiperazin-1-yl)-5-naphthalen-2-ylquinoline
SMILESCN1CCN(c2cnc3cccc(-c4ccc5ccccc5c4)c3c2)CC1
InChIInChI=1S/C24H23N3/c1-26-11-13-27(14-12-26)21-16-23-22(7-4-8-24(23)25-17-21)20-10-9-18-5-2-3-6-19(18)15-20/h2-10,15-17H,11-14H2,1H3
InChIKeyBXWKDQODKZWDDN-UHFFFAOYSA-N
XLogP4.81
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.81
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-naphthalen-2-ylquinoline?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-5-naphthalen-2-ylquinoline (CID 52937011) is 3-(4-methylpiperazin-1-yl)-5-naphthalen-2-ylquinoline.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-5-naphthalen-2-ylquinoline?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-5-naphthalen-2-ylquinoline is CN1CCN(c2cnc3cccc(-c4ccc5ccccc5c4)c3c2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-5-naphthalen-2-ylquinoline?
The InChIKey is BXWKDQODKZWDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3/c1-26-11-13-27(14-12-26)21-16-23-22(7-4-8-24(23)25-17-21)20-10-9-18-5-2-3-6-19(18)15-20/h2-10,15-17H,11-14H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)-5-naphthalen-2-ylquinoline?
3-(4-methylpiperazin-1-yl)-5-naphthalen-2-ylquinoline has a molecular weight of 353.47 g/mol, XLogP of 4.81, 2 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-naphthalen-2-ylquinoline is sourced from PubChem (CID 52937011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).