(5-amino-2-fluorophenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone;(5-amino-2-fluorophenyl)-(3-piperidin-1-ylquinoxalin-6-yl)methanone;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane

C50H59F2N9O7 — CID 159281143

IUPAC(5-amino-2-fluorophenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone;(5-amino-2-fluorophenyl)-(3-piperidin-1-ylquinoxalin-6-yl)methanone;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane
SMILESC.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCCCC4)nc3c2)c1.Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCNCC4)nc3c2)c1
InChIInChI=1S/C20H19FN4O.C19H18FN5O.C10H18O5.CH4/c21-16-6-5-14(22)11-15(16)20(26)13-4-7-17-18(10-13)24-19(12-23-17)25-8-2-1-3-9-25;20-15-3-2-13(21)10-14(15)19(26)12-1-4-16-17(9-12)24-18(11-23-16)25-7-5-22-6-8-25;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;/h4-7,10-12H,1-3,8-9,22H2;1-4,9-11,22H,5-8,21H2;1-6H3;1H4
InChIKeyKYXXFSAHJFHGGO-UHFFFAOYSA-N
MW936.07 g/mol
LogP9.07
Rot. Bonds6

About (5-amino-2-fluorophenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone;(5-amino-2-fluorophenyl)-(3-piperidin-1-ylquinoxalin-6-yl)methanone;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane

(5-amino-2-fluorophenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone;(5-amino-2-fluorophenyl)-(3-piperidin-1-ylquinoxalin-6-yl)methanone;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane (PubChem CID 159281143) has the molecular formula C50H59F2N9O7 and a molecular weight of 936.07 g/mol. Its IUPAC name is (5-amino-2-fluorophenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone;(5-amino-2-fluorophenyl)-(3-piperidin-1-ylquinoxalin-6-yl)methanone;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane.

Molecular Properties

Compound Name(5-amino-2-fluorophenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone;(5-amino-2-fluorophenyl)-(3-piperidin-1-ylquinoxalin-6-yl)methanone;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane
PubChem CID159281143
Molecular FormulaC50H59F2N9O7
Molecular Weight936.07 g/mol
Exact Mass935.45
IUPAC Name(5-amino-2-fluorophenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone;(5-amino-2-fluorophenyl)-(3-piperidin-1-ylquinoxalin-6-yl)methanone;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane
SMILESC.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCCCC4)nc3c2)c1.Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCNCC4)nc3c2)c1
InChIInChI=1S/C20H19FN4O.C19H18FN5O.C10H18O5.CH4/c21-16-6-5-14(22)11-15(16)20(26)13-4-7-17-18(10-13)24-19(12-23-17)25-8-2-1-3-9-25;20-15-3-2-13(21)10-14(15)19(26)12-1-4-16-17(9-12)24-18(11-23-16)25-7-5-22-6-8-25;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;/h4-7,10-12H,1-3,8-9,22H2;1-4,9-11,22H,5-8,21H2;1-6H3;1H4
InChIKeyKYXXFSAHJFHGGO-UHFFFAOYSA-N
XLogP9.07
TPSA218.08 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500936.07
LogP ≤ 59.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (5-amino-2-fluorophenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone;(5-amino-2-fluorophenyl)-(3-piperidin-1-ylquinoxalin-6-yl)methanone;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl piperidine-1-carboxylate;N-[3-(3-chloroquinoxaline-6-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;N-[4-fluoro-3-(3-piperidin-1-ylquinoxaline-6-carbonyl)phenyl]-2,2-dimethylpropanamide
CID 161471690
4-fluoro-N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443751
(2,3-difluoro-5-hydroxyphenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone
CID 71547456
N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 172754016
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
3,4-difluoro-N-[2-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443742
N-[2,4-difluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide
CID 89444097
1-(4-fluorophenyl)-3-[3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]urea
CID 89443737
tert-butyl 4-[7-[2-fluoro-4-(methylamino)benzoyl]quinoxalin-2-yl]piperazine-1-carboxylate;3-fluorobenzaldehyde
CID 144625947
1-[7-[2,3,6-trifluoro-5-(propoxyamino)benzoyl]quinoxalin-2-yl]piperazin-2-one
CID 144544125
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxyquinoxaline-6-carboxamide
CID 162733709

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-fluorophenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone;(5-amino-2-fluorophenyl)-(3-piperidin-1-ylquinoxalin-6-yl)methanone;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane?
The IUPAC name of (5-amino-2-fluorophenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone;(5-amino-2-fluorophenyl)-(3-piperidin-1-ylquinoxalin-6-yl)methanone;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane (CID 159281143) is (5-amino-2-fluorophenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone;(5-amino-2-fluorophenyl)-(3-piperidin-1-ylquinoxalin-6-yl)methanone;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane.
What is the SMILES notation for (5-amino-2-fluorophenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone;(5-amino-2-fluorophenyl)-(3-piperidin-1-ylquinoxalin-6-yl)methanone;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane?
The canonical SMILES for (5-amino-2-fluorophenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone;(5-amino-2-fluorophenyl)-(3-piperidin-1-ylquinoxalin-6-yl)methanone;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane is C.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCCCC4)nc3c2)c1.Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCNCC4)nc3c2)c1.
What is the InChIKey of (5-amino-2-fluorophenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone;(5-amino-2-fluorophenyl)-(3-piperidin-1-ylquinoxalin-6-yl)methanone;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane?
The InChIKey is KYXXFSAHJFHGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O.C19H18FN5O.C10H18O5.CH4/c21-16-6-5-14(22)11-15(16)20(26)13-4-7-17-18(10-13)24-19(12-23-17)25-8-2-1-3-9-25;20-15-3-2-13(21)10-14(15)19(26)12-1-4-16-17(9-12)24-18(11-23-16)25-7-5-22-6-8-25;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;/h4-7,10-12H,1-3,8-9,22H2;1-4,9-11,22H,5-8,21H2;1-6H3;1H4.
What are the key properties of (5-amino-2-fluorophenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone;(5-amino-2-fluorophenyl)-(3-piperidin-1-ylquinoxalin-6-yl)methanone;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane?
(5-amino-2-fluorophenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone;(5-amino-2-fluorophenyl)-(3-piperidin-1-ylquinoxalin-6-yl)methanone;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane has a molecular weight of 936.07 g/mol, XLogP of 9.07, 6 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-fluorophenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone;(5-amino-2-fluorophenyl)-(3-piperidin-1-ylquinoxalin-6-yl)methanone;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane is sourced from PubChem (CID 159281143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).