3-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxyquinoxaline-6-carboxamide

C19H18FN5O2 — CID 162733709

IUPAC3-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxyquinoxaline-6-carboxamide
SMILESO=C(NO)c1ccc2ncc(N3CCN(c4ccc(F)cc4)CC3)nc2c1
InChIInChI=1S/C19H18FN5O2/c20-14-2-4-15(5-3-14)24-7-9-25(10-8-24)18-12-21-16-6-1-13(19(26)23-27)11-17(16)22-18/h1-6,11-12,27H,7-10H2,(H,23,26)
InChIKeyMGLSZQSAVRSQIS-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.21
Rot. Bonds3

About 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxyquinoxaline-6-carboxamide

3-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxyquinoxaline-6-carboxamide (PubChem CID 162733709) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxyquinoxaline-6-carboxamide.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxyquinoxaline-6-carboxamide
PubChem CID162733709
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name3-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxyquinoxaline-6-carboxamide
SMILESO=C(NO)c1ccc2ncc(N3CCN(c4ccc(F)cc4)CC3)nc2c1
InChIInChI=1S/C19H18FN5O2/c20-14-2-4-15(5-3-14)24-7-9-25(10-8-24)18-12-21-16-6-1-13(19(26)23-27)11-17(16)22-18/h1-6,11-12,27H,7-10H2,(H,23,26)
InChIKeyMGLSZQSAVRSQIS-UHFFFAOYSA-N
XLogP2.21
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-3-(4-morpholin-4-ylphenyl)quinoxaline-6-carboxamide
CID 162733690
4-fluoro-N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443751
2-(4-fluorophenyl)-N-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetamide
CID 67035435
1-(4-fluorophenyl)-3-[3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]urea
CID 89443737
(2,3-difluoro-5-hydroxyphenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone
CID 71547456
N-[2,4-difluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide
CID 89444097
N-[2-fluoro-4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]benzamide
CID 140597681
3,4-difluoro-N-[4-fluoro-3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443919
(2-fluoro-5-hydroxyphenyl)-(3-morpholin-4-ylquinoxalin-6-yl)methanone
CID 89478345
bis(2-morpholin-4-ylquinoxalin-6-yl)methanone
CID 151491691
N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-2H-benzotriazole-5-carboxamide
CID 6416152
N-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3,4-difluorobenzamide
CID 89445006

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxyquinoxaline-6-carboxamide?
The IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxyquinoxaline-6-carboxamide (CID 162733709) is 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxyquinoxaline-6-carboxamide.
What is the SMILES notation for 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxyquinoxaline-6-carboxamide?
The canonical SMILES for 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxyquinoxaline-6-carboxamide is O=C(NO)c1ccc2ncc(N3CCN(c4ccc(F)cc4)CC3)nc2c1.
What is the InChIKey of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxyquinoxaline-6-carboxamide?
The InChIKey is MGLSZQSAVRSQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c20-14-2-4-15(5-3-14)24-7-9-25(10-8-24)18-12-21-16-6-1-13(19(26)23-27)11-17(16)22-18/h1-6,11-12,27H,7-10H2,(H,23,26).
What are the key properties of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxyquinoxaline-6-carboxamide?
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxyquinoxaline-6-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxyquinoxaline-6-carboxamide is sourced from PubChem (CID 162733709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).