quinolin-8-yl-[(2R)-2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone

C22H19N5OS — CID 95835272

About quinolin-8-yl-[(2R)-2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone

quinolin-8-yl-[(2R)-2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone (PubChem CID 95835272) has the molecular formula C22H19N5OS and a molecular weight of 401.50 g/mol. Its IUPAC name is quinolin-8-yl-[(2R)-2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: quinolin-8-yl-[(2R)-2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
• PubChem CID: 95835272
• Molecular Formula: C22H19N5OS
• Molecular Weight: 401.50 g/mol
• Exact Mass: 401.13
• IUPAC Name: quinolin-8-yl-[(2R)-2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
• SMILES: O=C(c1cccc2cccnc12)N1CCC[C@@H]1c1cccc(Nc2nccs2)n1
• InChI: InChI=1S/C22H19N5OS/c28-21(16-7-1-5-15-6-3-11-23-20(15)16)27-13-4-9-18(27)17-8-2-10-19(25-17)26-22-24-12-14-29-22/h1-3,5-8,10-12,14,18H,4,9,13H2,(H,24,25,26)/t18-/m1/s1
• InChIKey: DYOIZGAMNLFDAM-GOSISDBHSA-N
• XLogP: 4.81
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.50
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl-[(2R)-2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone?

The IUPAC name of quinolin-8-yl-[(2R)-2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone (CID 95835272) is quinolin-8-yl-[(2R)-2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for quinolin-8-yl-[(2R)-2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone?

The canonical SMILES for quinolin-8-yl-[(2R)-2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone is O=C(c1cccc2cccnc12)N1CCC[C@@H]1c1cccc(Nc2nccs2)n1.

What is the InChIKey of quinolin-8-yl-[(2R)-2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone?

The InChIKey is DYOIZGAMNLFDAM-GOSISDBHSA-N. The full InChI is InChI=1S/C22H19N5OS/c28-21(16-7-1-5-15-6-3-11-23-20(15)16)27-13-4-9-18(27)17-8-2-10-19(25-17)26-22-24-12-14-29-22/h1-3,5-8,10-12,14,18H,4,9,13H2,(H,24,25,26)/t18-/m1/s1.

What are the key properties of quinolin-8-yl-[(2R)-2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone?

quinolin-8-yl-[(2R)-2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone has a molecular weight of 401.50 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for quinolin-8-yl-[(2R)-2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95835272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).