6-fluoro-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide

C18H15FN2O2 — CID 3217692

IUPAC6-fluoro-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1c[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C18H15FN2O2/c19-13-6-7-16-14(10-13)17(22)15(11-21-16)18(23)20-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,20,23)(H,21,22)
InChIKeyRINALNMQFRIWFG-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.64
Rot. Bonds4

About 6-fluoro-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide

6-fluoro-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide (PubChem CID 3217692) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 6-fluoro-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
PubChem CID3217692
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name6-fluoro-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1c[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C18H15FN2O2/c19-13-6-7-16-14(10-13)17(22)15(11-21-16)18(23)20-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,20,23)(H,21,22)
InChIKeyRINALNMQFRIWFG-UHFFFAOYSA-N
XLogP2.64
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 6-fluoro-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide (CID 3217692) is 6-fluoro-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide is O=C(NCCc1ccccc1)c1c[nH]c2ccc(F)cc2c1=O.
What is the InChIKey of 6-fluoro-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
The InChIKey is RINALNMQFRIWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c19-13-6-7-16-14(10-13)17(22)15(11-21-16)18(23)20-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,20,23)(H,21,22).
What are the key properties of 6-fluoro-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
6-fluoro-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3217692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).