azane;7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid

C30H33N5O2 — CID 173008056

About azane;7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid

azane;7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid (PubChem CID 173008056) has the molecular formula C30H33N5O2 and a molecular weight of 495.63 g/mol. Its IUPAC name is azane;7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: azane;7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid
• PubChem CID: 173008056
• Molecular Formula: C30H33N5O2
• Molecular Weight: 495.63 g/mol
• Exact Mass: 495.26
• IUPAC Name: azane;7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid
• SMILES: Cc1ccc2c(C3CCN(CCc4c(C)ccc5c4ccc4c(C(=O)O)ncn45)CC3)cccc2n1.N
• InChI: InChI=1S/C30H30N4O2.H3N/c1-19-6-10-27-25(9-11-28-29(30(35)36)31-18-34(27)28)22(19)14-17-33-15-12-21(13-16-33)23-4-3-5-26-24(23)8-7-20(2)32-26;/h3-11,18,21H,12-17H2,1-2H3,(H,35,36);1H3
• InChIKey: UAYNOSMXAAPVFW-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 105.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.63
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of azane;7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid?

The IUPAC name of azane;7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid (CID 173008056) is azane;7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid.

What is the SMILES notation for azane;7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid?

The canonical SMILES for azane;7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid is Cc1ccc2c(C3CCN(CCc4c(C)ccc5c4ccc4c(C(=O)O)ncn45)CC3)cccc2n1.N.

What is the InChIKey of azane;7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid?

The InChIKey is UAYNOSMXAAPVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2.H3N/c1-19-6-10-27-25(9-11-28-29(30(35)36)31-18-34(27)28)22(19)14-17-33-15-12-21(13-16-33)23-4-3-5-26-24(23)8-7-20(2)32-26;/h3-11,18,21H,12-17H2,1-2H3,(H,35,36);1H3.

What are the key properties of azane;7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid?

azane;7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid has a molecular weight of 495.63 g/mol, XLogP of 5.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for azane;7-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylic acid is sourced from PubChem (CID 173008056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).