N-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-6-methyl-2-oxo-1H-quinoline-3-carboxamide

C20H19FN2O4 — CID 70199562

IUPACN-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-6-methyl-2-oxo-1H-quinoline-3-carboxamide
SMILESCCN(C(=O)c1c(O)c2c(OC)c(C)ccc2[nH]c1=O)c1cccc(F)c1
InChIInChI=1S/C20H19FN2O4/c1-4-23(13-7-5-6-12(21)10-13)20(26)16-17(24)15-14(22-19(16)25)9-8-11(2)18(15)27-3/h5-10H,4H2,1-3H3,(H2,22,24,25)
InChIKeyDAVLGLDGYJIOES-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.36
Rot. Bonds4

About N-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-6-methyl-2-oxo-1H-quinoline-3-carboxamide

N-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-6-methyl-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 70199562) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-6-methyl-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-6-methyl-2-oxo-1H-quinoline-3-carboxamide
PubChem CID70199562
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC NameN-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-6-methyl-2-oxo-1H-quinoline-3-carboxamide
SMILESCCN(C(=O)c1c(O)c2c(OC)c(C)ccc2[nH]c1=O)c1cccc(F)c1
InChIInChI=1S/C20H19FN2O4/c1-4-23(13-7-5-6-12(21)10-13)20(26)16-17(24)15-14(22-19(16)25)9-8-11(2)18(15)27-3/h5-10H,4H2,1-3H3,(H2,22,24,25)
InChIKeyDAVLGLDGYJIOES-UHFFFAOYSA-N
XLogP3.36
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-6-methyl-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-6-methyl-2-oxo-1H-quinoline-3-carboxamide (CID 70199562) is N-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-6-methyl-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-6-methyl-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-6-methyl-2-oxo-1H-quinoline-3-carboxamide is CCN(C(=O)c1c(O)c2c(OC)c(C)ccc2[nH]c1=O)c1cccc(F)c1.
What is the InChIKey of N-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-6-methyl-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is DAVLGLDGYJIOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-4-23(13-7-5-6-12(21)10-13)20(26)16-17(24)15-14(22-19(16)25)9-8-11(2)18(15)27-3/h5-10H,4H2,1-3H3,(H2,22,24,25).
What are the key properties of N-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-6-methyl-2-oxo-1H-quinoline-3-carboxamide?
N-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-6-methyl-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-6-methyl-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 70199562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).