7-(3,5-dimethylpiperazin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline

C16H25N3O — CID 22711838

IUPAC7-(3,5-dimethylpiperazin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc2c(cc1N1CC(C)NC(C)C1)NCCC2
InChIInChI=1S/C16H25N3O/c1-11-9-19(10-12(2)18-11)15-8-14-13(5-4-6-17-14)7-16(15)20-3/h7-8,11-12,17-18H,4-6,9-10H2,1-3H3
InChIKeyKRJHGCKLVJXGAW-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.24
Rot. Bonds2

About 7-(3,5-dimethylpiperazin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline

7-(3,5-dimethylpiperazin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline (PubChem CID 22711838) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 7-(3,5-dimethylpiperazin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-(3,5-dimethylpiperazin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline
PubChem CID22711838
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name7-(3,5-dimethylpiperazin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc2c(cc1N1CC(C)NC(C)C1)NCCC2
InChIInChI=1S/C16H25N3O/c1-11-9-19(10-12(2)18-11)15-8-14-13(5-4-6-17-14)7-16(15)20-3/h7-8,11-12,17-18H,4-6,9-10H2,1-3H3
InChIKeyKRJHGCKLVJXGAW-UHFFFAOYSA-N
XLogP2.24
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 7-(3,5-dimethylpiperazin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethylpiperazin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-(3,5-dimethylpiperazin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline (CID 22711838) is 7-(3,5-dimethylpiperazin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-(3,5-dimethylpiperazin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-(3,5-dimethylpiperazin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline is COc1cc2c(cc1N1CC(C)NC(C)C1)NCCC2.
What is the InChIKey of 7-(3,5-dimethylpiperazin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is KRJHGCKLVJXGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-9-19(10-12(2)18-11)15-8-14-13(5-4-6-17-14)7-16(15)20-3/h7-8,11-12,17-18H,4-6,9-10H2,1-3H3.
What are the key properties of 7-(3,5-dimethylpiperazin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline?
7-(3,5-dimethylpiperazin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline has a molecular weight of 275.40 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethylpiperazin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 22711838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).