4-(4-ethylpiperazin-1-yl)-7-methoxy-2-methylquinoline

C17H23N3O — CID 110434217

IUPAC4-(4-ethylpiperazin-1-yl)-7-methoxy-2-methylquinoline
SMILESCCN1CCN(c2cc(C)nc3cc(OC)ccc23)CC1
InChIInChI=1S/C17H23N3O/c1-4-19-7-9-20(10-8-19)17-11-13(2)18-16-12-14(21-3)5-6-15(16)17/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyDTKTYIIYLQWQIL-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.69
Rot. Bonds3

About 4-(4-ethylpiperazin-1-yl)-7-methoxy-2-methylquinoline

4-(4-ethylpiperazin-1-yl)-7-methoxy-2-methylquinoline (PubChem CID 110434217) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-7-methoxy-2-methylquinoline.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-7-methoxy-2-methylquinoline
PubChem CID110434217
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-(4-ethylpiperazin-1-yl)-7-methoxy-2-methylquinoline
SMILESCCN1CCN(c2cc(C)nc3cc(OC)ccc23)CC1
InChIInChI=1S/C17H23N3O/c1-4-19-7-9-20(10-8-19)17-11-13(2)18-16-12-14(21-3)5-6-15(16)17/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyDTKTYIIYLQWQIL-UHFFFAOYSA-N
XLogP2.69
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinoline
CID 110434228
7-methoxy-2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline
CID 110434229
7-[(3,5-dimethoxyphenyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline
CID 22641311
2-methyl-7-propan-2-yloxy-4-pyrrolidin-1-ylquinoline
CID 22641342
2-methyl-7-(2-methylpropoxy)-4-pyrrolidin-1-ylquinoline
CID 22641435
1-(4-ethylpiperazin-1-yl)-6-methoxyisoquinoline
CID 23155942
ethyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxyacetate
CID 69287154
7-methoxy-4-piperazin-1-yl-2-propylquinoline
CID 121237211
2-(4-methoxyphenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole
CID 56672810
1-(4-ethylpiperazin-1-yl)-6-methoxy-3-(4-methoxyphenyl)isoquinoline
CID 22503083
2-methyl-7-(pyridin-4-ylmethoxy)-4-pyrrolidin-1-ylquinoline;hydrochloride
CID 22641317
N,N-diethyl-7-methoxy-2-methylquinolin-4-amine
CID 71151890

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-7-methoxy-2-methylquinoline?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-7-methoxy-2-methylquinoline (CID 110434217) is 4-(4-ethylpiperazin-1-yl)-7-methoxy-2-methylquinoline.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-7-methoxy-2-methylquinoline?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-7-methoxy-2-methylquinoline is CCN1CCN(c2cc(C)nc3cc(OC)ccc23)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-7-methoxy-2-methylquinoline?
The InChIKey is DTKTYIIYLQWQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-19-7-9-20(10-8-19)17-11-13(2)18-16-12-14(21-3)5-6-15(16)17/h5-6,11-12H,4,7-10H2,1-3H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)-7-methoxy-2-methylquinoline?
4-(4-ethylpiperazin-1-yl)-7-methoxy-2-methylquinoline has a molecular weight of 285.39 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-7-methoxy-2-methylquinoline is sourced from PubChem (CID 110434217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).