3-amino-N-[(4-hydroxycycloheptyl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide

C25H26N6O3 — CID 154657789

About 3-amino-N-[(4-hydroxycycloheptyl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide

3-amino-N-[(4-hydroxycycloheptyl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 154657789) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is 3-amino-N-[(4-hydroxycycloheptyl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[(4-hydroxycycloheptyl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
• PubChem CID: 154657789
• Molecular Formula: C25H26N6O3
• Molecular Weight: 458.52 g/mol
• Exact Mass: 458.21
• IUPAC Name: 3-amino-N-[(4-hydroxycycloheptyl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
• SMILES: Nc1nc(-c2ncco2)c(-c2ccc3ncccc3c2)nc1C(=O)NCC1CCCC(O)CC1
• InChI: InChI=1S/C25H26N6O3/c26-23-22(24(33)29-14-15-3-1-5-18(32)8-6-15)30-20(21(31-23)25-28-11-12-34-25)17-7-9-19-16(13-17)4-2-10-27-19/h2,4,7,9-13,15,18,32H,1,3,5-6,8,14H2,(H2,26,31)(H,29,33)
• InChIKey: SAMQHRQTOOEKOU-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 140.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.52
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-hydroxycycloheptyl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?

The IUPAC name of 3-amino-N-[(4-hydroxycycloheptyl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide (CID 154657789) is 3-amino-N-[(4-hydroxycycloheptyl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[(4-hydroxycycloheptyl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?

The canonical SMILES for 3-amino-N-[(4-hydroxycycloheptyl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide is Nc1nc(-c2ncco2)c(-c2ccc3ncccc3c2)nc1C(=O)NCC1CCCC(O)CC1.

What is the InChIKey of 3-amino-N-[(4-hydroxycycloheptyl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?

The InChIKey is SAMQHRQTOOEKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c26-23-22(24(33)29-14-15-3-1-5-18(32)8-6-15)30-20(21(31-23)25-28-11-12-34-25)17-7-9-19-16(13-17)4-2-10-27-19/h2,4,7,9-13,15,18,32H,1,3,5-6,8,14H2,(H2,26,31)(H,29,33).

What are the key properties of 3-amino-N-[(4-hydroxycycloheptyl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide?

3-amino-N-[(4-hydroxycycloheptyl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(4-hydroxycycloheptyl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 154657789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).