3-amino-N-[2-(azetidin-1-yl)-2-oxoethyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide

C22H19N7O3 — CID 154657796

About 3-amino-N-[2-(azetidin-1-yl)-2-oxoethyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide

3-amino-N-[2-(azetidin-1-yl)-2-oxoethyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 154657796) has the molecular formula C22H19N7O3 and a molecular weight of 429.44 g/mol. Its IUPAC name is 3-amino-N-[2-(azetidin-1-yl)-2-oxoethyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[2-(azetidin-1-yl)-2-oxoethyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
• PubChem CID: 154657796
• Molecular Formula: C22H19N7O3
• Molecular Weight: 429.44 g/mol
• Exact Mass: 429.15
• IUPAC Name: 3-amino-N-[2-(azetidin-1-yl)-2-oxoethyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
• SMILES: Nc1nc(-c2ncco2)c(-c2ccc3ncccc3c2)nc1C(=O)NCC(=O)N1CCC1
• InChI: InChI=1S/C22H19N7O3/c23-20-19(21(31)26-12-16(30)29-8-2-9-29)27-17(18(28-20)22-25-7-10-32-22)14-4-5-15-13(11-14)3-1-6-24-15/h1,3-7,10-11H,2,8-9,12H2,(H2,23,28)(H,26,31)
• InChIKey: OKUZFIVOMAELSQ-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 140.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.44
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(azetidin-1-yl)-2-oxoethyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?

The IUPAC name of 3-amino-N-[2-(azetidin-1-yl)-2-oxoethyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide (CID 154657796) is 3-amino-N-[2-(azetidin-1-yl)-2-oxoethyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[2-(azetidin-1-yl)-2-oxoethyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?

The canonical SMILES for 3-amino-N-[2-(azetidin-1-yl)-2-oxoethyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide is Nc1nc(-c2ncco2)c(-c2ccc3ncccc3c2)nc1C(=O)NCC(=O)N1CCC1.

What is the InChIKey of 3-amino-N-[2-(azetidin-1-yl)-2-oxoethyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?

The InChIKey is OKUZFIVOMAELSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O3/c23-20-19(21(31)26-12-16(30)29-8-2-9-29)27-17(18(28-20)22-25-7-10-32-22)14-4-5-15-13(11-14)3-1-6-24-15/h1,3-7,10-11H,2,8-9,12H2,(H2,23,28)(H,26,31).

What are the key properties of 3-amino-N-[2-(azetidin-1-yl)-2-oxoethyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?

3-amino-N-[2-(azetidin-1-yl)-2-oxoethyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 429.44 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[2-(azetidin-1-yl)-2-oxoethyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 154657796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).