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

C29H26FN5O4 — CID 156906580

IUPACN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,3-oxazole-4-carboxamide
SMILESCN1C(=O)CCc2cc(N(C(=O)c3cocn3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)ccc21
InChIInChI=1S/C29H26FN5O4/c1-34-25-9-8-23(15-20(25)7-10-26(34)36)35(29(38)24-17-39-18-33-24)27(21-5-3-12-31-16-21)28(37)32-13-11-19-4-2-6-22(30)14-19/h2-6,8-9,12,14-18,27H,7,10-11,13H2,1H3,(H,32,37)
InChIKeyWIOAFGQREWPHPA-UHFFFAOYSA-N
MW527.56 g/mol
LogP3.86
Rot. Bonds8

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

N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,3-oxazole-4-carboxamide (PubChem CID 156906580) has the molecular formula C29H26FN5O4 and a molecular weight of 527.56 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,3-oxazole-4-carboxamide
PubChem CID156906580
Molecular FormulaC29H26FN5O4
Molecular Weight527.56 g/mol
Exact Mass527.20
IUPAC NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,3-oxazole-4-carboxamide
SMILESCN1C(=O)CCc2cc(N(C(=O)c3cocn3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)ccc21
InChIInChI=1S/C29H26FN5O4/c1-34-25-9-8-23(15-20(25)7-10-26(34)36)35(29(38)24-17-39-18-33-24)27(21-5-3-12-31-16-21)28(37)32-13-11-19-4-2-6-22(30)14-19/h2-6,8-9,12,14-18,27H,7,10-11,13H2,1H3,(H,32,37)
InChIKeyWIOAFGQREWPHPA-UHFFFAOYSA-N
XLogP3.86
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.56
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,3-oxazole-4-carboxamide (CID 156906580) is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,3-oxazole-4-carboxamide is CN1C(=O)CCc2cc(N(C(=O)c3cocn3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)ccc21.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is WIOAFGQREWPHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN5O4/c1-34-25-9-8-23(15-20(25)7-10-26(34)36)35(29(38)24-17-39-18-33-24)27(21-5-3-12-31-16-21)28(37)32-13-11-19-4-2-6-22(30)14-19/h2-6,8-9,12,14-18,27H,7,10-11,13H2,1H3,(H,32,37).
What are the key properties of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,3-oxazole-4-carboxamide?
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 527.56 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156906580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).