N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-6-methoxy-N-methylquinolin-4-amine

C21H23N5O — CID 126918901

About N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-6-methoxy-N-methylquinolin-4-amine

N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-6-methoxy-N-methylquinolin-4-amine (PubChem CID 126918901) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-6-methoxy-N-methylquinolin-4-amine.

Molecular Properties

• Compound Name: N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-6-methoxy-N-methylquinolin-4-amine
• PubChem CID: 126918901
• Molecular Formula: C21H23N5O
• Molecular Weight: 361.45 g/mol
• Exact Mass: 361.19
• IUPAC Name: N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-6-methoxy-N-methylquinolin-4-amine
• SMILES: COc1ccc2nccc(N(C)C3CN(c4cc5c(nn4)CCC5)C3)c2c1
• InChI: InChI=1S/C21H23N5O/c1-25(20-8-9-22-19-7-6-16(27-2)11-17(19)20)15-12-26(13-15)21-10-14-4-3-5-18(14)23-24-21/h6-11,15H,3-5,12-13H2,1-2H3
• InChIKey: ABSNZVXFXIJAJK-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 54.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.45
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-6-methoxy-N-methylquinolin-4-amine?

The IUPAC name of N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-6-methoxy-N-methylquinolin-4-amine (CID 126918901) is N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-6-methoxy-N-methylquinolin-4-amine.

What is the SMILES notation for N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-6-methoxy-N-methylquinolin-4-amine?

The canonical SMILES for N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-6-methoxy-N-methylquinolin-4-amine is COc1ccc2nccc(N(C)C3CN(c4cc5c(nn4)CCC5)C3)c2c1.

What is the InChIKey of N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-6-methoxy-N-methylquinolin-4-amine?

The InChIKey is ABSNZVXFXIJAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-25(20-8-9-22-19-7-6-16(27-2)11-17(19)20)15-12-26(13-15)21-10-14-4-3-5-18(14)23-24-21/h6-11,15H,3-5,12-13H2,1-2H3.

What are the key properties of N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-6-methoxy-N-methylquinolin-4-amine?

N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-6-methoxy-N-methylquinolin-4-amine has a molecular weight of 361.45 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-6-methoxy-N-methylquinolin-4-amine is sourced from PubChem (CID 126918901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).