7-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylmethyl)-3H-imidazo[4,5-c]quinolin-4-amine

C18H19N7 — CID 165369174

About 7-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylmethyl)-3H-imidazo[4,5-c]quinolin-4-amine

7-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylmethyl)-3H-imidazo[4,5-c]quinolin-4-amine (PubChem CID 165369174) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is 7-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylmethyl)-3H-imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

• Compound Name: 7-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylmethyl)-3H-imidazo[4,5-c]quinolin-4-amine
• PubChem CID: 165369174
• Molecular Formula: C18H19N7
• Molecular Weight: 333.40 g/mol
• Exact Mass: 333.17
• IUPAC Name: 7-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylmethyl)-3H-imidazo[4,5-c]quinolin-4-amine
• SMILES: Nc1nc2cc(-c3ccn[nH]3)ccc2c2nc(CC3CCNC3)[nH]c12
• InChI: InChI=1S/C18H19N7/c19-18-17-16(23-15(24-17)7-10-3-5-20-9-10)12-2-1-11(8-14(12)22-18)13-4-6-21-25-13/h1-2,4,6,8,10,20H,3,5,7,9H2,(H2,19,22)(H,21,25)(H,23,24)
• InChIKey: GHWHFPZBJHLRCQ-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 108.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.40
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylmethyl)-3H-imidazo[4,5-c]quinolin-4-amine?

The IUPAC name of 7-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylmethyl)-3H-imidazo[4,5-c]quinolin-4-amine (CID 165369174) is 7-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylmethyl)-3H-imidazo[4,5-c]quinolin-4-amine.

What is the SMILES notation for 7-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylmethyl)-3H-imidazo[4,5-c]quinolin-4-amine?

The canonical SMILES for 7-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylmethyl)-3H-imidazo[4,5-c]quinolin-4-amine is Nc1nc2cc(-c3ccn[nH]3)ccc2c2nc(CC3CCNC3)[nH]c12.

What is the InChIKey of 7-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylmethyl)-3H-imidazo[4,5-c]quinolin-4-amine?

The InChIKey is GHWHFPZBJHLRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c19-18-17-16(23-15(24-17)7-10-3-5-20-9-10)12-2-1-11(8-14(12)22-18)13-4-6-21-25-13/h1-2,4,6,8,10,20H,3,5,7,9H2,(H2,19,22)(H,21,25)(H,23,24).

What are the key properties of 7-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylmethyl)-3H-imidazo[4,5-c]quinolin-4-amine?

7-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylmethyl)-3H-imidazo[4,5-c]quinolin-4-amine has a molecular weight of 333.40 g/mol, XLogP of 2.24, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylmethyl)-3H-imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 165369174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).