[3-(6-fluoro-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone

C19H17FN4O — CID 135290858

IUPAC[3-(6-fluoro-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc2ncc(-c3ccc(F)nc3)nc2c1)N1CCCCC1
InChIInChI=1S/C19H17FN4O/c20-18-7-5-14(11-22-18)17-12-21-15-6-4-13(10-16(15)23-17)19(25)24-8-2-1-3-9-24/h4-7,10-12H,1-3,8-9H2
InChIKeyOBGFYRGRBIKMKE-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.46
Rot. Bonds2

About [3-(6-fluoro-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone

[3-(6-fluoro-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone (PubChem CID 135290858) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is [3-(6-fluoro-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(6-fluoro-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone
PubChem CID135290858
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name[3-(6-fluoro-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc2ncc(-c3ccc(F)nc3)nc2c1)N1CCCCC1
InChIInChI=1S/C19H17FN4O/c20-18-7-5-14(11-22-18)17-12-21-15-6-4-13(10-16(15)23-17)19(25)24-8-2-1-3-9-24/h4-7,10-12H,1-3,8-9H2
InChIKeyOBGFYRGRBIKMKE-UHFFFAOYSA-N
XLogP3.46
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(6-fluoro-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(6-fluoro-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone (CID 135290858) is [3-(6-fluoro-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(6-fluoro-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(6-fluoro-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone is O=C(c1ccc2ncc(-c3ccc(F)nc3)nc2c1)N1CCCCC1.
What is the InChIKey of [3-(6-fluoro-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
The InChIKey is OBGFYRGRBIKMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c20-18-7-5-14(11-22-18)17-12-21-15-6-4-13(10-16(15)23-17)19(25)24-8-2-1-3-9-24/h4-7,10-12H,1-3,8-9H2.
What are the key properties of [3-(6-fluoro-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
[3-(6-fluoro-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone has a molecular weight of 336.37 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-fluoro-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 135290858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).