6-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)quinoline

C18H23N3 — CID 64940952

IUPAC6-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)quinoline
SMILESCC1CNC(C)(C2CC2)CN1c1ccc2ncccc2c1
InChIInChI=1S/C18H23N3/c1-13-11-20-18(2,15-5-6-15)12-21(13)16-7-8-17-14(10-16)4-3-9-19-17/h3-4,7-10,13,15,20H,5-6,11-12H2,1-2H3
InChIKeyBUQGLUMPBVFLTA-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.20
Rot. Bonds2

About 6-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)quinoline

6-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)quinoline (PubChem CID 64940952) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 6-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name6-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)quinoline
PubChem CID64940952
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name6-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)quinoline
SMILESCC1CNC(C)(C2CC2)CN1c1ccc2ncccc2c1
InChIInChI=1S/C18H23N3/c1-13-11-20-18(2,15-5-6-15)12-21(13)16-7-8-17-14(10-16)4-3-9-19-17/h3-4,7-10,13,15,20H,5-6,11-12H2,1-2H3
InChIKeyBUQGLUMPBVFLTA-UHFFFAOYSA-N
XLogP3.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Aminoquinoline
CID 11375
4,7-Phenanthroline
CID 67472
6-Aminoquinoline
CID 11373
8-Aminoquinoline
CID 11359
4-Piperazin-1-yl-quinoline
CID 1534386
2-Methyl-4-(piperazin-1-yl)quinoline
CID 702318
8-Quinolinamine, 4-methyl-
CID 97374
Diethyl[4-(4-quinolylamino)pentyl]amine
CID 474865
Quinoline, 4-(2-diethylamino)ethylamino-
CID 10562205
2-(2-Pyridinyl)quinoline
CID 609911
1,6-Hexanediamine, N,N'-di-4-quinolinyl-
CID 151778
1,8-Octanediamine, N,N'-di-4-quinolinyl-
CID 151780

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)quinoline?
The IUPAC name of 6-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)quinoline (CID 64940952) is 6-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)quinoline.
What is the SMILES notation for 6-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)quinoline?
The canonical SMILES for 6-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)quinoline is CC1CNC(C)(C2CC2)CN1c1ccc2ncccc2c1.
What is the InChIKey of 6-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)quinoline?
The InChIKey is BUQGLUMPBVFLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-13-11-20-18(2,15-5-6-15)12-21(13)16-7-8-17-14(10-16)4-3-9-19-17/h3-4,7-10,13,15,20H,5-6,11-12H2,1-2H3.
What are the key properties of 6-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)quinoline?
6-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)quinoline has a molecular weight of 281.40 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)quinoline is sourced from PubChem (CID 64940952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).