N-[1-(2,2-difluoroethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide

C30H26F3N5O4 — CID 156906607

About N-[1-(2,2-difluoroethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide

N-[1-(2,2-difluoroethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide (PubChem CID 156906607) has the molecular formula C30H26F3N5O4 and a molecular weight of 577.56 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-(2,2-difluoroethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
• PubChem CID: 156906607
• Molecular Formula: C30H26F3N5O4
• Molecular Weight: 577.56 g/mol
• Exact Mass: 577.19
• IUPAC Name: N-[1-(2,2-difluoroethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
• SMILES: O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc2c(c1)CCC(=O)N2CC(F)F
• InChI: InChI=1S/C30H26F3N5O4/c31-22-5-1-3-19(13-22)10-12-35-29(40)28(21-4-2-11-34-15-21)38(30(41)24-17-42-18-36-24)23-7-8-25-20(14-23)6-9-27(39)37(25)16-26(32)33/h1-5,7-8,11,13-15,17-18,26,28H,6,9-10,12,16H2,(H,35,40)
• InChIKey: GCBOAYQZGNACKE-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 108.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.56
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[1-(2,2-difluoroethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide (CID 156906607) is N-[1-(2,2-difluoroethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[1-(2,2-difluoroethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[1-(2,2-difluoroethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide is O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc2c(c1)CCC(=O)N2CC(F)F.

What is the InChIKey of N-[1-(2,2-difluoroethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?

The InChIKey is GCBOAYQZGNACKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F3N5O4/c31-22-5-1-3-19(13-22)10-12-35-29(40)28(21-4-2-11-34-15-21)38(30(41)24-17-42-18-36-24)23-7-8-25-20(14-23)6-9-27(39)37(25)16-26(32)33/h1-5,7-8,11,13-15,17-18,26,28H,6,9-10,12,16H2,(H,35,40).

What are the key properties of N-[1-(2,2-difluoroethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?

N-[1-(2,2-difluoroethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 577.56 g/mol, XLogP of 4.50, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2,2-difluoroethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156906607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).