N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide

C24H21FN2O4 — CID 647458

IUPACN-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
SMILESCCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)c3ccco3)cc2c1
InChIInChI=1S/C24H21FN2O4/c1-2-30-20-9-10-21-17(13-20)12-18(23(28)26-21)15-27(24(29)22-4-3-11-31-22)14-16-5-7-19(25)8-6-16/h3-13H,2,14-15H2,1H3,(H,26,28)
InChIKeyVZIVCQRTNDETDU-UHFFFAOYSA-N
MW420.44 g/mol
LogP4.50
Rot. Bonds7

About N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide

N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide (PubChem CID 647458) has the molecular formula C24H21FN2O4 and a molecular weight of 420.44 g/mol. Its IUPAC name is N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
PubChem CID647458
Molecular FormulaC24H21FN2O4
Molecular Weight420.44 g/mol
Exact Mass420.15
IUPAC NameN-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
SMILESCCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)c3ccco3)cc2c1
InChIInChI=1S/C24H21FN2O4/c1-2-30-20-9-10-21-17(13-20)12-18(23(28)26-21)15-27(24(29)22-4-3-11-31-22)14-16-5-7-19(25)8-6-16/h3-13H,2,14-15H2,1H3,(H,26,28)
InChIKeyVZIVCQRTNDETDU-UHFFFAOYSA-N
XLogP4.50
TPSA75.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide (CID 647458) is N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide is CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)c3ccco3)cc2c1.
What is the InChIKey of N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The InChIKey is VZIVCQRTNDETDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O4/c1-2-30-20-9-10-21-17(13-20)12-18(23(28)26-21)15-27(24(29)22-4-3-11-31-22)14-16-5-7-19(25)8-6-16/h3-13H,2,14-15H2,1H3,(H,26,28).
What are the key properties of N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide has a molecular weight of 420.44 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 647458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).