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

C22H25N3O — CID 3534758

IUPAC2-(4-benzylpiperazin-1-yl)-7-methoxy-4-methylquinoline
SMILESCOc1ccc2c(C)cc(N3CCN(Cc4ccccc4)CC3)nc2c1
InChIInChI=1S/C22H25N3O/c1-17-14-22(23-21-15-19(26-2)8-9-20(17)21)25-12-10-24(11-13-25)16-18-6-4-3-5-7-18/h3-9,14-15H,10-13,16H2,1-2H3
InChIKeyZGKYAZYZXRFWSM-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.87
Rot. Bonds4

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

2-(4-benzylpiperazin-1-yl)-7-methoxy-4-methylquinoline (PubChem CID 3534758) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-7-methoxy-4-methylquinoline.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-7-methoxy-4-methylquinoline
PubChem CID3534758
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name2-(4-benzylpiperazin-1-yl)-7-methoxy-4-methylquinoline
SMILESCOc1ccc2c(C)cc(N3CCN(Cc4ccccc4)CC3)nc2c1
InChIInChI=1S/C22H25N3O/c1-17-14-22(23-21-15-19(26-2)8-9-20(17)21)25-12-10-24(11-13-25)16-18-6-4-3-5-7-18/h3-9,14-15H,10-13,16H2,1-2H3
InChIKeyZGKYAZYZXRFWSM-UHFFFAOYSA-N
XLogP3.87
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-7-methoxy-4-methylquinoline?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-7-methoxy-4-methylquinoline (CID 3534758) is 2-(4-benzylpiperazin-1-yl)-7-methoxy-4-methylquinoline.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-7-methoxy-4-methylquinoline?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-7-methoxy-4-methylquinoline is COc1ccc2c(C)cc(N3CCN(Cc4ccccc4)CC3)nc2c1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-7-methoxy-4-methylquinoline?
The InChIKey is ZGKYAZYZXRFWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-17-14-22(23-21-15-19(26-2)8-9-20(17)21)25-12-10-24(11-13-25)16-18-6-4-3-5-7-18/h3-9,14-15H,10-13,16H2,1-2H3.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-7-methoxy-4-methylquinoline?
2-(4-benzylpiperazin-1-yl)-7-methoxy-4-methylquinoline has a molecular weight of 347.46 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-7-methoxy-4-methylquinoline is sourced from PubChem (CID 3534758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).