3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxamide

C22H25N5O2 — CID 109069614

About 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxamide

3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 109069614) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

• Compound Name: 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxamide
• PubChem CID: 109069614
• Molecular Formula: C22H25N5O2
• Molecular Weight: 391.48 g/mol
• Exact Mass: 391.20
• IUPAC Name: 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxamide
• SMILES: CN(C)CCNC(=O)c1nc(C(=O)N2CCCc3ccccc32)n2ccccc12
• InChI: InChI=1S/C22H25N5O2/c1-25(2)15-12-23-21(28)19-18-11-5-6-13-26(18)20(24-19)22(29)27-14-7-9-16-8-3-4-10-17(16)27/h3-6,8,10-11,13H,7,9,12,14-15H2,1-2H3,(H,23,28)
• InChIKey: URTXMVFMXRZHRZ-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 69.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.48
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxamide?

The IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxamide (CID 109069614) is 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxamide.

What is the SMILES notation for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxamide?

The canonical SMILES for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxamide is CN(C)CCNC(=O)c1nc(C(=O)N2CCCc3ccccc32)n2ccccc12.

What is the InChIKey of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxamide?

The InChIKey is URTXMVFMXRZHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-25(2)15-12-23-21(28)19-18-11-5-6-13-26(18)20(24-19)22(29)27-14-7-9-16-8-3-4-10-17(16)27/h3-6,8,10-11,13H,7,9,12,14-15H2,1-2H3,(H,23,28).

What are the key properties of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxamide?

3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 109069614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).