1-ethyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxamide

C19H17FN2O3 — CID 54689671

IUPAC1-ethyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)NCc2ccc(F)cc2)c(O)c2ccccc21
InChIInChI=1S/C19H17FN2O3/c1-2-22-15-6-4-3-5-14(15)17(23)16(19(22)25)18(24)21-11-12-7-9-13(20)10-8-12/h3-10,23H,2,11H2,1H3,(H,21,24)
InChIKeyCEBWFNGPYDQFSF-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.80
Rot. Bonds4

About 1-ethyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxamide

1-ethyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxamide (PubChem CID 54689671) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is 1-ethyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxamide
PubChem CID54689671
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name1-ethyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)NCc2ccc(F)cc2)c(O)c2ccccc21
InChIInChI=1S/C19H17FN2O3/c1-2-22-15-6-4-3-5-14(15)17(23)16(19(22)25)18(24)21-11-12-7-9-13(20)10-8-12/h3-10,23H,2,11H2,1H3,(H,21,24)
InChIKeyCEBWFNGPYDQFSF-UHFFFAOYSA-N
XLogP2.80
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxamide?
The IUPAC name of 1-ethyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxamide (CID 54689671) is 1-ethyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxamide is CCn1c(=O)c(C(=O)NCc2ccc(F)cc2)c(O)c2ccccc21.
What is the InChIKey of 1-ethyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxamide?
The InChIKey is CEBWFNGPYDQFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-2-22-15-6-4-3-5-14(15)17(23)16(19(22)25)18(24)21-11-12-7-9-13(20)10-8-12/h3-10,23H,2,11H2,1H3,(H,21,24).
What are the key properties of 1-ethyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxamide?
1-ethyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54689671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).