N-methoxy-N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide

C31H35N5O2 — CID 58064168

About N-methoxy-N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide

N-methoxy-N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide (PubChem CID 58064168) has the molecular formula C31H35N5O2 and a molecular weight of 509.65 g/mol. Its IUPAC name is N-methoxy-N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-methoxy-N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide
• PubChem CID: 58064168
• Molecular Formula: C31H35N5O2
• Molecular Weight: 509.65 g/mol
• Exact Mass: 509.28
• IUPAC Name: N-methoxy-N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide
• SMILES: CON(C)C(=O)c1ncn2c1CCc1c(CCN3CCC(c4cccc5nc(C)ccc45)CC3)cccc1-2
• InChI: InChI=1S/C31H35N5O2/c1-21-10-11-26-24(7-5-8-27(26)33-21)23-15-18-35(19-16-23)17-14-22-6-4-9-28-25(22)12-13-29-30(32-20-36(28)29)31(37)34(2)38-3/h4-11,20,23H,12-19H2,1-3H3
• InChIKey: IYKBDJUMIMZQFO-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 63.49 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.65
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide?

The IUPAC name of N-methoxy-N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide (CID 58064168) is N-methoxy-N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide.

What is the SMILES notation for N-methoxy-N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide?

The canonical SMILES for N-methoxy-N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide is CON(C)C(=O)c1ncn2c1CCc1c(CCN3CCC(c4cccc5nc(C)ccc45)CC3)cccc1-2.

What is the InChIKey of N-methoxy-N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide?

The InChIKey is IYKBDJUMIMZQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O2/c1-21-10-11-26-24(7-5-8-27(26)33-21)23-15-18-35(19-16-23)17-14-22-6-4-9-28-25(22)12-13-29-30(32-20-36(28)29)31(37)34(2)38-3/h4-11,20,23H,12-19H2,1-3H3.

What are the key properties of N-methoxy-N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide?

N-methoxy-N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide has a molecular weight of 509.65 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methoxy-N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide is sourced from PubChem (CID 58064168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).