6-fluoro-N-(furan-2-ylmethyl)quinoline-2-carboxamide

C15H11FN2O2 — CID 110464446

IUPAC6-fluoro-N-(furan-2-ylmethyl)quinoline-2-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2cc(F)ccc2n1
InChIInChI=1S/C15H11FN2O2/c16-11-4-6-13-10(8-11)3-5-14(18-13)15(19)17-9-12-2-1-7-20-12/h1-8H,9H2,(H,17,19)
InChIKeyRMVPELWTCJJSPY-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.90
Rot. Bonds3

About 6-fluoro-N-(furan-2-ylmethyl)quinoline-2-carboxamide

6-fluoro-N-(furan-2-ylmethyl)quinoline-2-carboxamide (PubChem CID 110464446) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 6-fluoro-N-(furan-2-ylmethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(furan-2-ylmethyl)quinoline-2-carboxamide
PubChem CID110464446
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name6-fluoro-N-(furan-2-ylmethyl)quinoline-2-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2cc(F)ccc2n1
InChIInChI=1S/C15H11FN2O2/c16-11-4-6-13-10(8-11)3-5-14(18-13)15(19)17-9-12-2-1-7-20-12/h1-8H,9H2,(H,17,19)
InChIKeyRMVPELWTCJJSPY-UHFFFAOYSA-N
XLogP2.90
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(furan-2-ylmethyl)quinoline-2-carboxamide?
The IUPAC name of 6-fluoro-N-(furan-2-ylmethyl)quinoline-2-carboxamide (CID 110464446) is 6-fluoro-N-(furan-2-ylmethyl)quinoline-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-(furan-2-ylmethyl)quinoline-2-carboxamide?
The canonical SMILES for 6-fluoro-N-(furan-2-ylmethyl)quinoline-2-carboxamide is O=C(NCc1ccco1)c1ccc2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-N-(furan-2-ylmethyl)quinoline-2-carboxamide?
The InChIKey is RMVPELWTCJJSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c16-11-4-6-13-10(8-11)3-5-14(18-13)15(19)17-9-12-2-1-7-20-12/h1-8H,9H2,(H,17,19).
What are the key properties of 6-fluoro-N-(furan-2-ylmethyl)quinoline-2-carboxamide?
6-fluoro-N-(furan-2-ylmethyl)quinoline-2-carboxamide has a molecular weight of 270.26 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(furan-2-ylmethyl)quinoline-2-carboxamide is sourced from PubChem (CID 110464446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).