(2,3-difluoro-5-hydroxyphenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone

C19H16F2N4O2 — CID 71547456

IUPAC(2,3-difluoro-5-hydroxyphenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone
SMILESO=C(c1ccc2ncc(N3CCNCC3)nc2c1)c1cc(O)cc(F)c1F
InChIInChI=1S/C19H16F2N4O2/c20-14-9-12(26)8-13(18(14)21)19(27)11-1-2-15-16(7-11)24-17(10-23-15)25-5-3-22-4-6-25/h1-2,7-10,22,26H,3-6H2
InChIKeyJBJMDFZMDGKJRG-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.25
Rot. Bonds3

About (2,3-difluoro-5-hydroxyphenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone

(2,3-difluoro-5-hydroxyphenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone (PubChem CID 71547456) has the molecular formula C19H16F2N4O2 and a molecular weight of 370.36 g/mol. Its IUPAC name is (2,3-difluoro-5-hydroxyphenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone.

Molecular Properties

Compound Name(2,3-difluoro-5-hydroxyphenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone
PubChem CID71547456
Molecular FormulaC19H16F2N4O2
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name(2,3-difluoro-5-hydroxyphenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone
SMILESO=C(c1ccc2ncc(N3CCNCC3)nc2c1)c1cc(O)cc(F)c1F
InChIInChI=1S/C19H16F2N4O2/c20-14-9-12(26)8-13(18(14)21)19(27)11-1-2-15-16(7-11)24-17(10-23-15)25-5-3-22-4-6-25/h1-2,7-10,22,26H,3-6H2
InChIKeyJBJMDFZMDGKJRG-UHFFFAOYSA-N
XLogP2.25
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-5-hydroxyphenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone?
The IUPAC name of (2,3-difluoro-5-hydroxyphenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone (CID 71547456) is (2,3-difluoro-5-hydroxyphenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone.
What is the SMILES notation for (2,3-difluoro-5-hydroxyphenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone?
The canonical SMILES for (2,3-difluoro-5-hydroxyphenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone is O=C(c1ccc2ncc(N3CCNCC3)nc2c1)c1cc(O)cc(F)c1F.
What is the InChIKey of (2,3-difluoro-5-hydroxyphenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone?
The InChIKey is JBJMDFZMDGKJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2/c20-14-9-12(26)8-13(18(14)21)19(27)11-1-2-15-16(7-11)24-17(10-23-15)25-5-3-22-4-6-25/h1-2,7-10,22,26H,3-6H2.
What are the key properties of (2,3-difluoro-5-hydroxyphenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone?
(2,3-difluoro-5-hydroxyphenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone has a molecular weight of 370.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-5-hydroxyphenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone is sourced from PubChem (CID 71547456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).