4-(3-fluorophenyl)-N-quinolin-6-yloxane-4-carboxamide

C21H19FN2O2 — CID 60582036

IUPAC4-(3-fluorophenyl)-N-quinolin-6-yloxane-4-carboxamide
SMILESO=C(Nc1ccc2ncccc2c1)C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C21H19FN2O2/c22-17-5-1-4-16(14-17)21(8-11-26-12-9-21)20(25)24-18-6-7-19-15(13-18)3-2-10-23-19/h1-7,10,13-14H,8-9,11-12H2,(H,24,25)
InChIKeyHRTOLKPKHJSDER-UHFFFAOYSA-N
MW350.39 g/mol
LogP4.06
Rot. Bonds3

About 4-(3-fluorophenyl)-N-quinolin-6-yloxane-4-carboxamide

4-(3-fluorophenyl)-N-quinolin-6-yloxane-4-carboxamide (PubChem CID 60582036) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-quinolin-6-yloxane-4-carboxamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-quinolin-6-yloxane-4-carboxamide
PubChem CID60582036
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC Name4-(3-fluorophenyl)-N-quinolin-6-yloxane-4-carboxamide
SMILESO=C(Nc1ccc2ncccc2c1)C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C21H19FN2O2/c22-17-5-1-4-16(14-17)21(8-11-26-12-9-21)20(25)24-18-6-7-19-15(13-18)3-2-10-23-19/h1-7,10,13-14H,8-9,11-12H2,(H,24,25)
InChIKeyHRTOLKPKHJSDER-UHFFFAOYSA-N
XLogP4.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-quinolin-6-yloxane-4-carboxamide?
The IUPAC name of 4-(3-fluorophenyl)-N-quinolin-6-yloxane-4-carboxamide (CID 60582036) is 4-(3-fluorophenyl)-N-quinolin-6-yloxane-4-carboxamide.
What is the SMILES notation for 4-(3-fluorophenyl)-N-quinolin-6-yloxane-4-carboxamide?
The canonical SMILES for 4-(3-fluorophenyl)-N-quinolin-6-yloxane-4-carboxamide is O=C(Nc1ccc2ncccc2c1)C1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of 4-(3-fluorophenyl)-N-quinolin-6-yloxane-4-carboxamide?
The InChIKey is HRTOLKPKHJSDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c22-17-5-1-4-16(14-17)21(8-11-26-12-9-21)20(25)24-18-6-7-19-15(13-18)3-2-10-23-19/h1-7,10,13-14H,8-9,11-12H2,(H,24,25).
What are the key properties of 4-(3-fluorophenyl)-N-quinolin-6-yloxane-4-carboxamide?
4-(3-fluorophenyl)-N-quinolin-6-yloxane-4-carboxamide has a molecular weight of 350.39 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-quinolin-6-yloxane-4-carboxamide is sourced from PubChem (CID 60582036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).