2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinolin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinoxalin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(6-piperazin-1-ylquinoxalin-2-yl)ethanone

C82H82F4N18O4 — CID 159109918

IUPAC2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinolin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinoxalin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(6-piperazin-1-ylquinoxalin-2-yl)ethanone
SMILESNc1ccc(F)cc1CC(=O)c1ccc2nc(N3CCNCC3)ccc2c1.Nc1ccc(F)cc1CC(=O)c1ccc2nc(N3CCNCC3)cnc2c1.Nc1ccc(F)cc1CC(=O)c1cnc2cc(N3CCNCC3)ccc2c1.Nc1ccc(F)cc1CC(=O)c1cnc2cc(N3CCNCC3)ccc2n1
InChIInChI=1S/2C21H21FN4O.2C20H20FN5O/c22-17-3-4-18(23)16(12-17)13-20(27)15-1-5-19-14(11-15)2-6-21(25-19)26-9-7-24-8-10-26;22-17-2-4-19(23)15(10-17)11-21(27)16-9-14-1-3-18(12-20(14)25-13-16)26-7-5-24-6-8-26;21-15-2-3-16(22)14(9-15)11-19(27)13-1-4-17-18(10-13)24-12-20(25-17)26-7-5-23-6-8-26;21-14-1-3-16(22)13(9-14)10-20(27)19-12-24-18-11-15(2-4-17(18)25-19)26-7-5-23-6-8-26/h1-6,11-12,24H,7-10,13,23H2;1-4,9-10,12-13,24H,5-8,11,23H2;1-4,9-10,12,23H,5-8,11,22H2;1-4,9,11-12,23H,5-8,10,22H2
InChIKeyKEIYRZDYJZYLRW-UHFFFAOYSA-N
MW1459.67 g/mol
LogP9.95
Rot. Bonds16

About 2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinolin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinoxalin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(6-piperazin-1-ylquinoxalin-2-yl)ethanone

2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinolin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinoxalin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(6-piperazin-1-ylquinoxalin-2-yl)ethanone (PubChem CID 159109918) has the molecular formula C82H82F4N18O4 and a molecular weight of 1459.67 g/mol. Its IUPAC name is 2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinolin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinoxalin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(6-piperazin-1-ylquinoxalin-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinolin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinoxalin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(6-piperazin-1-ylquinoxalin-2-yl)ethanone
PubChem CID159109918
Molecular FormulaC82H82F4N18O4
Molecular Weight1459.67 g/mol
Exact Mass1458.67
IUPAC Name2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinolin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinoxalin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(6-piperazin-1-ylquinoxalin-2-yl)ethanone
SMILESNc1ccc(F)cc1CC(=O)c1ccc2nc(N3CCNCC3)ccc2c1.Nc1ccc(F)cc1CC(=O)c1ccc2nc(N3CCNCC3)cnc2c1.Nc1ccc(F)cc1CC(=O)c1cnc2cc(N3CCNCC3)ccc2c1.Nc1ccc(F)cc1CC(=O)c1cnc2cc(N3CCNCC3)ccc2n1
InChIInChI=1S/2C21H21FN4O.2C20H20FN5O/c22-17-3-4-18(23)16(12-17)13-20(27)15-1-5-19-14(11-15)2-6-21(25-19)26-9-7-24-8-10-26;22-17-2-4-19(23)15(10-17)11-21(27)16-9-14-1-3-18(12-20(14)25-13-16)26-7-5-24-6-8-26;21-15-2-3-16(22)14(9-15)11-19(27)13-1-4-17-18(10-13)24-12-20(25-17)26-7-5-23-6-8-26;21-14-1-3-16(22)13(9-14)10-20(27)19-12-24-18-11-15(2-4-17(18)25-19)26-7-5-23-6-8-26/h1-6,11-12,24H,7-10,13,23H2;1-4,9-10,12-13,24H,5-8,11,23H2;1-4,9-10,12,23H,5-8,11,22H2;1-4,9,11-12,23H,5-8,10,22H2
InChIKeyKEIYRZDYJZYLRW-UHFFFAOYSA-N
XLogP9.95
TPSA310.78 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001459.67
LogP ≤ 59.95
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinolin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinoxalin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(6-piperazin-1-ylquinoxalin-2-yl)ethanone with MolForge

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Related Compounds

2-(2-amino-5-phenyl-3-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone
CID 147842204
2-(2-amino-5-fluorophenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone
CID 157268874
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxyquinoxaline-6-carboxamide
CID 162733709
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
4-fluoro-N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443751
2-methyl-6-piperazin-1-ylquinoxaline
CID 117275288
N-[5-amino-2-(4-fluorophenyl)pyrimidin-4-yl]-6-piperazin-1-ylpyridine-3-carboxamide
CID 146525524
2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-ylphenyl)ethanone
CID 148807592
bis(2-(5-amino-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone);tert-butyl 4-[3-[2-(5-amino-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[2-(5-nitro-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;2-(5-nitro-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;3-(5-phenyl-3H-pyrrolo[2,3-c]pyridin-2-yl)-7-piperazin-1-ylquinoline
CID 157435188
6-ethoxy-2-piperazin-1-ylquinoline
CID 82166097

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinolin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinoxalin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(6-piperazin-1-ylquinoxalin-2-yl)ethanone?
The IUPAC name of 2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinolin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinoxalin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(6-piperazin-1-ylquinoxalin-2-yl)ethanone (CID 159109918) is 2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinolin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinoxalin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(6-piperazin-1-ylquinoxalin-2-yl)ethanone.
What is the SMILES notation for 2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinolin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinoxalin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(6-piperazin-1-ylquinoxalin-2-yl)ethanone?
The canonical SMILES for 2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinolin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinoxalin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(6-piperazin-1-ylquinoxalin-2-yl)ethanone is Nc1ccc(F)cc1CC(=O)c1ccc2nc(N3CCNCC3)ccc2c1.Nc1ccc(F)cc1CC(=O)c1ccc2nc(N3CCNCC3)cnc2c1.Nc1ccc(F)cc1CC(=O)c1cnc2cc(N3CCNCC3)ccc2c1.Nc1ccc(F)cc1CC(=O)c1cnc2cc(N3CCNCC3)ccc2n1.
What is the InChIKey of 2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinolin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinoxalin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(6-piperazin-1-ylquinoxalin-2-yl)ethanone?
The InChIKey is KEIYRZDYJZYLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H21FN4O.2C20H20FN5O/c22-17-3-4-18(23)16(12-17)13-20(27)15-1-5-19-14(11-15)2-6-21(25-19)26-9-7-24-8-10-26;22-17-2-4-19(23)15(10-17)11-21(27)16-9-14-1-3-18(12-20(14)25-13-16)26-7-5-24-6-8-26;21-15-2-3-16(22)14(9-15)11-19(27)13-1-4-17-18(10-13)24-12-20(25-17)26-7-5-23-6-8-26;21-14-1-3-16(22)13(9-14)10-20(27)19-12-24-18-11-15(2-4-17(18)25-19)26-7-5-23-6-8-26/h1-6,11-12,24H,7-10,13,23H2;1-4,9-10,12-13,24H,5-8,11,23H2;1-4,9-10,12,23H,5-8,11,22H2;1-4,9,11-12,23H,5-8,10,22H2.
What are the key properties of 2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinolin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinoxalin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(6-piperazin-1-ylquinoxalin-2-yl)ethanone?
2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinolin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinoxalin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(6-piperazin-1-ylquinoxalin-2-yl)ethanone has a molecular weight of 1459.67 g/mol, XLogP of 9.95, 16 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinolin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinoxalin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(6-piperazin-1-ylquinoxalin-2-yl)ethanone is sourced from PubChem (CID 159109918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).