6-ethoxy-2-piperazin-1-ylquinoline

C15H19N3O — CID 82166097

IUPAC6-ethoxy-2-piperazin-1-ylquinoline
SMILESCCOc1ccc2nc(N3CCNCC3)ccc2c1
InChIInChI=1S/C15H19N3O/c1-2-19-13-4-5-14-12(11-13)3-6-15(17-14)18-9-7-16-8-10-18/h3-6,11,16H,2,7-10H2,1H3
InChIKeyIISRACWFKDNMDX-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.04
Rot. Bonds3

About 6-ethoxy-2-piperazin-1-ylquinoline

6-ethoxy-2-piperazin-1-ylquinoline (PubChem CID 82166097) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-ethoxy-2-piperazin-1-ylquinoline.

Molecular Properties

Compound Name6-ethoxy-2-piperazin-1-ylquinoline
PubChem CID82166097
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-ethoxy-2-piperazin-1-ylquinoline
SMILESCCOc1ccc2nc(N3CCNCC3)ccc2c1
InChIInChI=1S/C15H19N3O/c1-2-19-13-4-5-14-12(11-13)3-6-15(17-14)18-9-7-16-8-10-18/h3-6,11,16H,2,7-10H2,1H3
InChIKeyIISRACWFKDNMDX-UHFFFAOYSA-N
XLogP2.04
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperazin-1-yl-6-propan-2-ylquinoline
CID 82166087
3-(4-ethoxyphenyl)-6-piperazin-1-ylpyridazine
CID 52903948
6-methoxy-2-piperidin-1-ylquinoline
CID 143398989
1-(3-ethoxyphenyl)piperazine
CID 14519634
6-ethoxy-2-(piperazin-1-ylmethyl)-1,3-benzothiazole
CID 79518989
ethyl 1-(6-methoxyquinolin-2-yl)piperidine-4-carboxylate
CID 141431671
2-ethyl-4-piperazin-1-ylpyrimidine;dihydrochloride
CID 18698026
ethyl 6-ethoxy-4-piperazin-1-ylquinoline-3-carboxylate
CID 66487373
2,6-diethoxyanthracene
CID 12651989
2-(4-cyclopropylpiperazin-1-yl)-6-methoxyquinoline;dihydrochloride
CID 11302721
3-ethyl-7-methoxy-2-piperazin-1-ylquinoline
CID 121236560
2-N,2-N,3-N,3-N-tetraethyl-6-piperazin-1-ylpyridine-2,3-diamine
CID 14654942

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-piperazin-1-ylquinoline?
The IUPAC name of 6-ethoxy-2-piperazin-1-ylquinoline (CID 82166097) is 6-ethoxy-2-piperazin-1-ylquinoline.
What is the SMILES notation for 6-ethoxy-2-piperazin-1-ylquinoline?
The canonical SMILES for 6-ethoxy-2-piperazin-1-ylquinoline is CCOc1ccc2nc(N3CCNCC3)ccc2c1.
What is the InChIKey of 6-ethoxy-2-piperazin-1-ylquinoline?
The InChIKey is IISRACWFKDNMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-19-13-4-5-14-12(11-13)3-6-15(17-14)18-9-7-16-8-10-18/h3-6,11,16H,2,7-10H2,1H3.
What are the key properties of 6-ethoxy-2-piperazin-1-ylquinoline?
6-ethoxy-2-piperazin-1-ylquinoline has a molecular weight of 257.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-piperazin-1-ylquinoline is sourced from PubChem (CID 82166097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).