3-ethyl-7-methoxy-2-piperazin-1-ylquinoline

C16H21N3O — CID 121236560

IUPAC3-ethyl-7-methoxy-2-piperazin-1-ylquinoline
SMILESCCc1cc2ccc(OC)cc2nc1N1CCNCC1
InChIInChI=1S/C16H21N3O/c1-3-12-10-13-4-5-14(20-2)11-15(13)18-16(12)19-8-6-17-7-9-19/h4-5,10-11,17H,3,6-9H2,1-2H3
InChIKeyJTTMVZLFKXVDOE-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.22
Rot. Bonds3

About 3-ethyl-7-methoxy-2-piperazin-1-ylquinoline

3-ethyl-7-methoxy-2-piperazin-1-ylquinoline (PubChem CID 121236560) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-ethyl-7-methoxy-2-piperazin-1-ylquinoline.

Molecular Properties

Compound Name3-ethyl-7-methoxy-2-piperazin-1-ylquinoline
PubChem CID121236560
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-ethyl-7-methoxy-2-piperazin-1-ylquinoline
SMILESCCc1cc2ccc(OC)cc2nc1N1CCNCC1
InChIInChI=1S/C16H21N3O/c1-3-12-10-13-4-5-14(20-2)11-15(13)18-16(12)19-8-6-17-7-9-19/h4-5,10-11,17H,3,6-9H2,1-2H3
InChIKeyJTTMVZLFKXVDOE-UHFFFAOYSA-N
XLogP2.22
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-3-methyl-2-piperazin-1-ylquinoline;hydrochloride
CID 121237209
3-ethyl-6-fluoro-2-piperazin-1-ylquinoline
CID 121236550
7-methoxy-1-piperazin-1-ylisoquinoline
CID 23155836
3-ethyl-7-methoxy-2-methylquinoline
CID 90882709
3-ethyl-7,8-dimethyl-2-piperazin-1-ylquinoline;hydrochloride
CID 121236555
7-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde
CID 857615
7-methoxy-4-piperazin-1-yl-2-propylquinoline
CID 121237211
7-methoxy-4-methyl-2-piperazin-1-ylquinoline;hydrochloride
CID 121237212
6-methoxy-4-piperazin-1-yl-2-propylquinoline
CID 121237076
1-(3-ethyl-5-methyl-2-pyridinyl)piperazine
CID 58484627
6-ethoxy-2-piperazin-1-ylquinoline
CID 82166097
7-methoxy-3-methyl-1-pyrrolidin-1-ylbenzo[b][1,6]naphthyridine
CID 12579913

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-methoxy-2-piperazin-1-ylquinoline?
The IUPAC name of 3-ethyl-7-methoxy-2-piperazin-1-ylquinoline (CID 121236560) is 3-ethyl-7-methoxy-2-piperazin-1-ylquinoline.
What is the SMILES notation for 3-ethyl-7-methoxy-2-piperazin-1-ylquinoline?
The canonical SMILES for 3-ethyl-7-methoxy-2-piperazin-1-ylquinoline is CCc1cc2ccc(OC)cc2nc1N1CCNCC1.
What is the InChIKey of 3-ethyl-7-methoxy-2-piperazin-1-ylquinoline?
The InChIKey is JTTMVZLFKXVDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-12-10-13-4-5-14(20-2)11-15(13)18-16(12)19-8-6-17-7-9-19/h4-5,10-11,17H,3,6-9H2,1-2H3.
What are the key properties of 3-ethyl-7-methoxy-2-piperazin-1-ylquinoline?
3-ethyl-7-methoxy-2-piperazin-1-ylquinoline has a molecular weight of 271.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-methoxy-2-piperazin-1-ylquinoline is sourced from PubChem (CID 121236560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).