3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[2-(oxan-4-yl)ethyl]pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;2-(oxan-4-yl)ethanamine

C54H52Cl2F2N10O5 — CID 158395033

About 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[2-(oxan-4-yl)ethyl]pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;2-(oxan-4-yl)ethanamine

3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[2-(oxan-4-yl)ethyl]pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;2-(oxan-4-yl)ethanamine (PubChem CID 158395033) has the molecular formula C54H52Cl2F2N10O5 and a molecular weight of 1029.98 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[2-(oxan-4-yl)ethyl]pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;2-(oxan-4-yl)ethanamine.

Molecular Properties

• Compound Name: 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[2-(oxan-4-yl)ethyl]pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;2-(oxan-4-yl)ethanamine
• PubChem CID: 158395033
• Molecular Formula: C54H52Cl2F2N10O5
• Molecular Weight: 1029.98 g/mol
• Exact Mass: 1028.35
• IUPAC Name: 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[2-(oxan-4-yl)ethyl]pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;2-(oxan-4-yl)ethanamine
• SMILES: NCCC1CCOCC1.Nc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)NCCC1CCOCC1.Nc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)O
• InChI: InChI=1S/C27H25ClFN5O2.C20H12ClFN4O2.C7H15NO/c28-21-15-19(14-18-2-1-10-31-22(18)21)24-23(17-3-5-20(29)6-4-17)34-26(30)25(33-24)27(35)32-11-7-16-8-12-36-13-9-16;21-14-9-12(8-11-2-1-7-24-15(11)14)17-16(10-3-5-13(22)6-4-10)26-19(23)18(25-17)20(27)28;8-4-1-7-2-5-9-6-3-7/h1-6,10,14-16H,7-9,11-13H2,(H2,30,34)(H,32,35);1-9H,(H2,23,26)(H,27,28);7H,1-6,8H2
• InChIKey: GXLDZZFCBQBVFW-UHFFFAOYSA-N
• XLogP: 10.47
• TPSA: 240.26 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1029.98
LogP ≤ 5	10.47
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[2-(oxan-4-yl)ethyl]pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;2-(oxan-4-yl)ethanamine?

The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[2-(oxan-4-yl)ethyl]pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;2-(oxan-4-yl)ethanamine (CID 158395033) is 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[2-(oxan-4-yl)ethyl]pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;2-(oxan-4-yl)ethanamine.

What is the SMILES notation for 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[2-(oxan-4-yl)ethyl]pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;2-(oxan-4-yl)ethanamine?

The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[2-(oxan-4-yl)ethyl]pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;2-(oxan-4-yl)ethanamine is NCCC1CCOCC1.Nc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)NCCC1CCOCC1.Nc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)O.

What is the InChIKey of 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[2-(oxan-4-yl)ethyl]pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;2-(oxan-4-yl)ethanamine?

The InChIKey is GXLDZZFCBQBVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClFN5O2.C20H12ClFN4O2.C7H15NO/c28-21-15-19(14-18-2-1-10-31-22(18)21)24-23(17-3-5-20(29)6-4-17)34-26(30)25(33-24)27(35)32-11-7-16-8-12-36-13-9-16;21-14-9-12(8-11-2-1-7-24-15(11)14)17-16(10-3-5-13(22)6-4-10)26-19(23)18(25-17)20(27)28;8-4-1-7-2-5-9-6-3-7/h1-6,10,14-16H,7-9,11-13H2,(H2,30,34)(H,32,35);1-9H,(H2,23,26)(H,27,28);7H,1-6,8H2.

What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[2-(oxan-4-yl)ethyl]pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;2-(oxan-4-yl)ethanamine?

3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[2-(oxan-4-yl)ethyl]pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;2-(oxan-4-yl)ethanamine has a molecular weight of 1029.98 g/mol, XLogP of 10.47, 11 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)-N-[2-(oxan-4-yl)ethyl]pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 158395033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).