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

C17H23N3O — CID 692279

IUPAC2-(4-ethylpiperazin-1-yl)-7-methoxy-4-methylquinoline
SMILESCCN1CCN(c2cc(C)c3ccc(OC)cc3n2)CC1
InChIInChI=1S/C17H23N3O/c1-4-19-7-9-20(10-8-19)17-11-13(2)15-6-5-14(21-3)12-16(15)18-17/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyMNHUPYMQGWNISM-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.69
Rot. Bonds3

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

2-(4-ethylpiperazin-1-yl)-7-methoxy-4-methylquinoline (PubChem CID 692279) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-7-methoxy-4-methylquinoline.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-7-methoxy-4-methylquinoline
PubChem CID692279
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-(4-ethylpiperazin-1-yl)-7-methoxy-4-methylquinoline
SMILESCCN1CCN(c2cc(C)c3ccc(OC)cc3n2)CC1
InChIInChI=1S/C17H23N3O/c1-4-19-7-9-20(10-8-19)17-11-13(2)15-6-5-14(21-3)12-16(15)18-17/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyMNHUPYMQGWNISM-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-7-methoxy-4-methylquinoline?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-7-methoxy-4-methylquinoline (CID 692279) is 2-(4-ethylpiperazin-1-yl)-7-methoxy-4-methylquinoline.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-7-methoxy-4-methylquinoline?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-7-methoxy-4-methylquinoline is CCN1CCN(c2cc(C)c3ccc(OC)cc3n2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-7-methoxy-4-methylquinoline?
The InChIKey is MNHUPYMQGWNISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-19-7-9-20(10-8-19)17-11-13(2)15-6-5-14(21-3)12-16(15)18-17/h5-6,11-12H,4,7-10H2,1-3H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-7-methoxy-4-methylquinoline?
2-(4-ethylpiperazin-1-yl)-7-methoxy-4-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 2-(4-ethylpiperazin-1-yl)-7-methoxy-4-methylquinoline is sourced from PubChem (CID 692279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).