N-[[2-(ethoxymethyl)phenyl]methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C20H21FN2O3 — CID 46447479

IUPACN-[[2-(ethoxymethyl)phenyl]methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCOCc1ccccc1CNC(=O)C1CC(=O)Nc2cc(F)ccc21
InChIInChI=1S/C20H21FN2O3/c1-2-26-12-14-6-4-3-5-13(14)11-22-20(25)17-10-19(24)23-18-9-15(21)7-8-16(17)18/h3-9,17H,2,10-12H2,1H3,(H,22,25)(H,23,24)
InChIKeyCXSLTDWTTLSGEL-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.10
Rot. Bonds6

About N-[[2-(ethoxymethyl)phenyl]methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-[[2-(ethoxymethyl)phenyl]methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 46447479) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)phenyl]methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)phenyl]methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID46447479
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC NameN-[[2-(ethoxymethyl)phenyl]methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCOCc1ccccc1CNC(=O)C1CC(=O)Nc2cc(F)ccc21
InChIInChI=1S/C20H21FN2O3/c1-2-26-12-14-6-4-3-5-13(14)11-22-20(25)17-10-19(24)23-18-9-15(21)7-8-16(17)18/h3-9,17H,2,10-12H2,1H3,(H,22,25)(H,23,24)
InChIKeyCXSLTDWTTLSGEL-UHFFFAOYSA-N
XLogP3.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 46447479) is N-[[2-(ethoxymethyl)phenyl]methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[[2-(ethoxymethyl)phenyl]methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[[2-(ethoxymethyl)phenyl]methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CCOCc1ccccc1CNC(=O)C1CC(=O)Nc2cc(F)ccc21.
What is the InChIKey of N-[[2-(ethoxymethyl)phenyl]methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is CXSLTDWTTLSGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-2-26-12-14-6-4-3-5-13(14)11-22-20(25)17-10-19(24)23-18-9-15(21)7-8-16(17)18/h3-9,17H,2,10-12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[[2-(ethoxymethyl)phenyl]methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-[[2-(ethoxymethyl)phenyl]methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)phenyl]methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 46447479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).