4-methoxy-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide

C22H25N3O2 — CID 3206670

IUPAC4-methoxy-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCNc2nc3cc(C)c(C)cc3cc2C)cc1
InChIInChI=1S/C22H25N3O2/c1-14-11-18-12-16(3)21(25-20(18)13-15(14)2)23-9-10-24-22(26)17-5-7-19(27-4)8-6-17/h5-8,11-13H,9-10H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyVEXBBUJFNIXRGN-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.01
Rot. Bonds6

About 4-methoxy-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide

4-methoxy-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide (PubChem CID 3206670) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-methoxy-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide
PubChem CID3206670
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-methoxy-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCNc2nc3cc(C)c(C)cc3cc2C)cc1
InChIInChI=1S/C22H25N3O2/c1-14-11-18-12-16(3)21(25-20(18)13-15(14)2)23-9-10-24-22(26)17-5-7-19(27-4)8-6-17/h5-8,11-13H,9-10H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyVEXBBUJFNIXRGN-UHFFFAOYSA-N
XLogP4.01
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide (CID 3206670) is 4-methoxy-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide is COc1ccc(C(=O)NCCNc2nc3cc(C)c(C)cc3cc2C)cc1.
What is the InChIKey of 4-methoxy-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide?
The InChIKey is VEXBBUJFNIXRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14-11-18-12-16(3)21(25-20(18)13-15(14)2)23-9-10-24-22(26)17-5-7-19(27-4)8-6-17/h5-8,11-13H,9-10H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 4-methoxy-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide?
4-methoxy-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide has a molecular weight of 363.46 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide is sourced from PubChem (CID 3206670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).