2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-morpholin-4-ylethyl)acetamide

C25H28FN3O4 — CID 42877878

IUPAC2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1cc(=O)n(Cc2ccccc2F)c2cc(OCC(=O)NCCN3CCOCC3)ccc12
InChIInChI=1S/C25H28FN3O4/c1-18-14-25(31)29(16-19-4-2-3-5-22(19)26)23-15-20(6-7-21(18)23)33-17-24(30)27-8-9-28-10-12-32-13-11-28/h2-7,14-15H,8-13,16-17H2,1H3,(H,27,30)
InChIKeyCABFXFRHJPTYKJ-UHFFFAOYSA-N
MW453.51 g/mol
LogP2.32
Rot. Bonds8

About 2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-morpholin-4-ylethyl)acetamide

2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 42877878) has the molecular formula C25H28FN3O4 and a molecular weight of 453.51 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID42877878
Molecular FormulaC25H28FN3O4
Molecular Weight453.51 g/mol
Exact Mass453.21
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1cc(=O)n(Cc2ccccc2F)c2cc(OCC(=O)NCCN3CCOCC3)ccc12
InChIInChI=1S/C25H28FN3O4/c1-18-14-25(31)29(16-19-4-2-3-5-22(19)26)23-15-20(6-7-21(18)23)33-17-24(30)27-8-9-28-10-12-32-13-11-28/h2-7,14-15H,8-13,16-17H2,1H3,(H,27,30)
InChIKeyCABFXFRHJPTYKJ-UHFFFAOYSA-N
XLogP2.32
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-morpholin-4-ylethyl)acetamide with MolForge

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Related Compounds

2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 42877882
2-[1-(cyclobutylmethyl)-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-piperidin-1-ylethyl)acetamide
CID 42877942
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(2-morpholin-4-ylethyl)acetamide
CID 4904447
2-(3-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 134002654
2-(2,6-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 18892490
2-(1-ethyl-4-methyl-2-oxoquinolin-7-yl)oxy-N-(2-fluorophenyl)acetamide
CID 42690239
2-(3-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 47100694
2-(4-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 888119
1-N-[2-(2-fluorophenyl)ethyl]-1-N'-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973603
N-(3-morpholin-4-ylpropyl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
CID 4908914
2-(1-ethyl-4-methyl-2-oxoquinolin-7-yl)oxy-N-phenylacetamide
CID 42690240
2-(2-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 806992

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-morpholin-4-ylethyl)acetamide (CID 42877878) is 2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-morpholin-4-ylethyl)acetamide is Cc1cc(=O)n(Cc2ccccc2F)c2cc(OCC(=O)NCCN3CCOCC3)ccc12.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is CABFXFRHJPTYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O4/c1-18-14-25(31)29(16-19-4-2-3-5-22(19)26)23-15-20(6-7-21(18)23)33-17-24(30)27-8-9-28-10-12-32-13-11-28/h2-7,14-15H,8-13,16-17H2,1H3,(H,27,30).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-morpholin-4-ylethyl)acetamide?
2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 453.51 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-4-methyl-2-oxoquinolin-7-yl]oxy-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 42877878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).