N-[2-(dimethylamino)ethyl]-4-[(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]-N-methylbenzamide

C23H26N6O2 — CID 71139516

About N-[2-(dimethylamino)ethyl]-4-[(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]-N-methylbenzamide

N-[2-(dimethylamino)ethyl]-4-[(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]-N-methylbenzamide (PubChem CID 71139516) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]-N-methylbenzamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-4-[(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]-N-methylbenzamide
• PubChem CID: 71139516
• Molecular Formula: C23H26N6O2
• Molecular Weight: 418.50 g/mol
• Exact Mass: 418.21
• IUPAC Name: N-[2-(dimethylamino)ethyl]-4-[(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]-N-methylbenzamide
• SMILES: COc1ccc2nc(Nc3ccc(C(=O)N(C)CCN(C)C)cc3)c3[nH]ncc3c2c1
• InChI: InChI=1S/C23H26N6O2/c1-28(2)11-12-29(3)23(30)15-5-7-16(8-6-15)25-22-21-19(14-24-27-21)18-13-17(31-4)9-10-20(18)26-22/h5-10,13-14H,11-12H2,1-4H3,(H,24,27)(H,25,26)
• InChIKey: WIZZHKKLZJAKJN-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 86.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.50
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]-N-methylbenzamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]-N-methylbenzamide (CID 71139516) is N-[2-(dimethylamino)ethyl]-4-[(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]-N-methylbenzamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-[(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]-N-methylbenzamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]-N-methylbenzamide is COc1ccc2nc(Nc3ccc(C(=O)N(C)CCN(C)C)cc3)c3[nH]ncc3c2c1.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]-N-methylbenzamide?

The InChIKey is WIZZHKKLZJAKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-28(2)11-12-29(3)23(30)15-5-7-16(8-6-15)25-22-21-19(14-24-27-21)18-13-17(31-4)9-10-20(18)26-22/h5-10,13-14H,11-12H2,1-4H3,(H,24,27)(H,25,26).

What are the key properties of N-[2-(dimethylamino)ethyl]-4-[(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]-N-methylbenzamide?

N-[2-(dimethylamino)ethyl]-4-[(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]-N-methylbenzamide has a molecular weight of 418.50 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-4-[(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)amino]-N-methylbenzamide is sourced from PubChem (CID 71139516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).