2-[[1-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-oxoquinolin-3-yl]methylamino]propanamide

C23H26FN3O3 — CID 143688058

IUPAC2-[[1-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-oxoquinolin-3-yl]methylamino]propanamide
SMILESCCOCCn1c(=O)c(CNC(C)C(N)=O)cc2cc(-c3ccc(F)cc3)ccc21
InChIInChI=1S/C23H26FN3O3/c1-3-30-11-10-27-21-9-6-17(16-4-7-20(24)8-5-16)12-18(21)13-19(23(27)29)14-26-15(2)22(25)28/h4-9,12-13,15,26H,3,10-11,14H2,1-2H3,(H2,25,28)
InChIKeyATHFXNAPJMPREV-UHFFFAOYSA-N
MW411.48 g/mol
LogP2.81
Rot. Bonds9

About 2-[[1-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-oxoquinolin-3-yl]methylamino]propanamide

2-[[1-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-oxoquinolin-3-yl]methylamino]propanamide (PubChem CID 143688058) has the molecular formula C23H26FN3O3 and a molecular weight of 411.48 g/mol. Its IUPAC name is 2-[[1-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-oxoquinolin-3-yl]methylamino]propanamide.

Molecular Properties

Compound Name2-[[1-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-oxoquinolin-3-yl]methylamino]propanamide
PubChem CID143688058
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC Name2-[[1-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-oxoquinolin-3-yl]methylamino]propanamide
SMILESCCOCCn1c(=O)c(CNC(C)C(N)=O)cc2cc(-c3ccc(F)cc3)ccc21
InChIInChI=1S/C23H26FN3O3/c1-3-30-11-10-27-21-9-6-17(16-4-7-20(24)8-5-16)12-18(21)13-19(23(27)29)14-26-15(2)22(25)28/h4-9,12-13,15,26H,3,10-11,14H2,1-2H3,(H2,25,28)
InChIKeyATHFXNAPJMPREV-UHFFFAOYSA-N
XLogP2.81
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[1-(2-ethoxyethyl)-7-(4-methoxyphenyl)-2-oxoquinolin-3-yl]methylamino]propanamide
CID 143687890
(2S)-2-[[7-(1,3-benzodioxol-5-yl)-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide
CID 143688188
(2S)-2-[[7-cyano-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide
CID 143688133
2-[[7-(3-chlorophenoxy)-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide
CID 143687973
(2S)-2-[[6-(3,4-difluorophenyl)-1-(2-ethoxyethyl)-5-methylbenzimidazol-2-yl]methylamino]propanamide
CID 58532104
2-[[1-(2-ethoxyethyl)-6-(4-fluorophenyl)benzimidazol-2-yl]methylamino]-2-methylpropanamide
CID 58532089
(2S)-2-[[1-(2-ethoxyethyl)-6-(4-methylphenyl)benzimidazol-2-yl]methylamino]butanamide
CID 126490288
2-[[2-oxo-7-phenoxy-1-(4,4,4-trifluorobutyl)quinolin-3-yl]methylamino]propanamide
CID 143688101
(2S)-2-[[1-(2-ethoxyethyl)-6-phenoxybenzimidazol-2-yl]methylamino]propanamide
CID 67427219
(2R)-4-[5-(4-chlorophenyl)-1-(2-ethoxyethyl)benzimidazol-2-yl]-2-methylbutanamide
CID 58532047
(2S)-2-[[6-(4-fluorophenoxy)-1-(2-methoxyethyl)benzimidazol-2-yl]methylamino]propanamide
CID 58532117
2-[(2-bromo-4-fluorophenyl)methylamino]propanamide
CID 43430625

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-oxoquinolin-3-yl]methylamino]propanamide?
The IUPAC name of 2-[[1-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-oxoquinolin-3-yl]methylamino]propanamide (CID 143688058) is 2-[[1-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-oxoquinolin-3-yl]methylamino]propanamide.
What is the SMILES notation for 2-[[1-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-oxoquinolin-3-yl]methylamino]propanamide?
The canonical SMILES for 2-[[1-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-oxoquinolin-3-yl]methylamino]propanamide is CCOCCn1c(=O)c(CNC(C)C(N)=O)cc2cc(-c3ccc(F)cc3)ccc21.
What is the InChIKey of 2-[[1-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-oxoquinolin-3-yl]methylamino]propanamide?
The InChIKey is ATHFXNAPJMPREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O3/c1-3-30-11-10-27-21-9-6-17(16-4-7-20(24)8-5-16)12-18(21)13-19(23(27)29)14-26-15(2)22(25)28/h4-9,12-13,15,26H,3,10-11,14H2,1-2H3,(H2,25,28).
What are the key properties of 2-[[1-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-oxoquinolin-3-yl]methylamino]propanamide?
2-[[1-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-oxoquinolin-3-yl]methylamino]propanamide has a molecular weight of 411.48 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-oxoquinolin-3-yl]methylamino]propanamide is sourced from PubChem (CID 143688058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).