6-(bromomethyl)-2-ethyl-4H-quinolin-3-one;tert-butyl 4-[2-(difluoromethyl)-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-ethenyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-formyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;6-(difluoromethyl)-5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-(difluoromethyl)-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide

C100H129BrF6N22O14 — CID 164972038

IUPAC6-(bromomethyl)-2-ethyl-4H-quinolin-3-one;tert-butyl 4-[2-(difluoromethyl)-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-ethenyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-formyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;6-(difluoromethyl)-5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-(difluoromethyl)-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide
SMILESC=Cc1nc(C(=O)NC)ccc1N1CCN(C(=O)OC(C)(C)C)CC1.CCC1=Nc2ccc(CBr)cc2CC1=O.CCC1=Nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4C(F)F)CC3)cc2CC1=O.CNC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C(F)F)n1.CNC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C=O)n1.CNC(=O)c1ccc(N2CCNCC2)c(C(F)F)n1
InChIInChI=1S/C24H27F2N5O2.C18H26N4O3.C17H24F2N4O3.C17H24N4O4.C12H12BrNO.C12H16F2N4O/c1-3-17-21(32)13-16-12-15(4-5-18(16)28-17)14-30-8-10-31(11-9-30)20-7-6-19(24(33)27-2)29-22(20)23(25)26;1-6-13-15(8-7-14(20-13)16(23)19-5)21-9-11-22(12-10-21)17(24)25-18(2,3)4;1-17(2,3)26-16(25)23-9-7-22(8-10-23)12-6-5-11(15(24)20-4)21-13(12)14(18)19;1-17(2,3)25-16(24)21-9-7-20(8-10-21)14-6-5-12(15(23)18-4)19-13(14)11-22;1-2-10-12(15)6-9-5-8(7-13)3-4-11(9)14-10;1-15-12(19)8-2-3-9(10(17-8)11(13)14)18-6-4-16-5-7-18/h4-7,12,23H,3,8-11,13-14H2,1-2H3,(H,27,33);6-8H,1,9-12H2,2-5H3,(H,19,23);5-6,14H,7-10H2,1-4H3,(H,20,24);5-6,11H,7-10H2,1-4H3,(H,18,23);3-5H,2,6-7H2,1H3;2-3,11,16H,4-7H2,1H3,(H,15,19)
InChIKeyDGHVYCPDQSHMPS-UHFFFAOYSA-N
MW2057.16 g/mol
LogP13.17
Rot. Bonds20

About 6-(bromomethyl)-2-ethyl-4H-quinolin-3-one;tert-butyl 4-[2-(difluoromethyl)-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-ethenyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-formyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;6-(difluoromethyl)-5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-(difluoromethyl)-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide

6-(bromomethyl)-2-ethyl-4H-quinolin-3-one;tert-butyl 4-[2-(difluoromethyl)-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-ethenyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-formyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;6-(difluoromethyl)-5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-(difluoromethyl)-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide (PubChem CID 164972038) has the molecular formula C100H129BrF6N22O14 and a molecular weight of 2057.16 g/mol. Its IUPAC name is 6-(bromomethyl)-2-ethyl-4H-quinolin-3-one;tert-butyl 4-[2-(difluoromethyl)-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-ethenyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-formyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;6-(difluoromethyl)-5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-(difluoromethyl)-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(bromomethyl)-2-ethyl-4H-quinolin-3-one;tert-butyl 4-[2-(difluoromethyl)-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-ethenyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-formyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;6-(difluoromethyl)-5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-(difluoromethyl)-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide
PubChem CID164972038
Molecular FormulaC100H129BrF6N22O14
Molecular Weight2057.16 g/mol
Exact Mass2054.91
IUPAC Name6-(bromomethyl)-2-ethyl-4H-quinolin-3-one;tert-butyl 4-[2-(difluoromethyl)-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-ethenyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-formyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;6-(difluoromethyl)-5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-(difluoromethyl)-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide
SMILESC=Cc1nc(C(=O)NC)ccc1N1CCN(C(=O)OC(C)(C)C)CC1.CCC1=Nc2ccc(CBr)cc2CC1=O.CCC1=Nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4C(F)F)CC3)cc2CC1=O.CNC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C(F)F)n1.CNC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C=O)n1.CNC(=O)c1ccc(N2CCNCC2)c(C(F)F)n1
InChIInChI=1S/C24H27F2N5O2.C18H26N4O3.C17H24F2N4O3.C17H24N4O4.C12H12BrNO.C12H16F2N4O/c1-3-17-21(32)13-16-12-15(4-5-18(16)28-17)14-30-8-10-31(11-9-30)20-7-6-19(24(33)27-2)29-22(20)23(25)26;1-6-13-15(8-7-14(20-13)16(23)19-5)21-9-11-22(12-10-21)17(24)25-18(2,3)4;1-17(2,3)26-16(25)23-9-7-22(8-10-23)12-6-5-11(15(24)20-4)21-13(12)14(18)19;1-17(2,3)25-16(24)21-9-7-20(8-10-21)14-6-5-12(15(23)18-4)19-13(14)11-22;1-2-10-12(15)6-9-5-8(7-13)3-4-11(9)14-10;1-15-12(19)8-2-3-9(10(17-8)11(13)14)18-6-4-16-5-7-18/h4-7,12,23H,3,8-11,13-14H2,1-2H3,(H,27,33);6-8H,1,9-12H2,2-5H3,(H,19,23);5-6,14H,7-10H2,1-4H3,(H,20,24);5-6,11H,7-10H2,1-4H3,(H,18,23);3-5H,2,6-7H2,1H3;2-3,11,16H,4-7H2,1H3,(H,15,19)
InChIKeyDGHVYCPDQSHMPS-UHFFFAOYSA-N
XLogP13.17
TPSA405.97 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002057.16
LogP ≤ 513.17
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 6-(bromomethyl)-2-ethyl-4H-quinolin-3-one;tert-butyl 4-[2-(difluoromethyl)-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-ethenyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-formyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;6-(difluoromethyl)-5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-(difluoromethyl)-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide with MolForge

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Related Compounds

6-(bromomethyl)-2-ethyl-4H-quinolin-3-one;tert-butyl 4-[2-bromo-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-(methylcarbamoyl)-2-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxylate;5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide;N-methyl-5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide
CID 158016600
1-(2-aminoethyl)-5-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-3-pyridinyl]-3-morpholin-4-ylpyridin-2-one;5-bromo-3-morpholin-4-yl-1H-pyridin-2-one;methyl N-[2-[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-morpholin-4-yl-2-oxo-1-pyridinyl]ethyl]carbamate
CID 160313603
7-(bromomethyl)-3-(1,1-difluoroethyl)-8-fluoro-1H-quinoxalin-2-one;5-[4-[[2-(1,1-difluoroethyl)-5-fluoro-3-oxo-4H-quinolin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 163978494
6-(bromomethyl)-2-ethyl-4H-quinolin-3-one;6-(difluoromethyl)-5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-(difluoromethyl)-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 159172404
Tert-butyl 4-[2-(difluoromethyl)-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-ethenyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-formyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 159403274
6-(bromomethyl)-2-ethyl-4H-quinolin-3-one;6-ethyl-5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-ethyl-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 159599989
7-(bromomethyl)-8-fluoro-3-methyl-1H-quinoxalin-2-one;6-(difluoromethyl)-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-(difluoromethyl)-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 163591136
7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one;6-(difluoromethyl)-5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-(difluoromethyl)-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 163592841
6-(bromomethyl)-2,5-dimethyl-4H-quinolin-3-one;6-(difluoromethyl)-5-[4-[(2,5-dimethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-(difluoromethyl)-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 163627128
6-(bromomethyl)-2-cyclopropyl-5-fluoro-4H-quinolin-3-one;5-[4-[(2-cyclopropyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 163765513
6-(bromomethyl)-2-methoxy-5-methyl-4H-quinolin-3-one;tert-butyl 4-[2-(difluoromethyl)-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;6-(difluoromethyl)-5-[4-[(2-methoxy-5-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-(difluoromethyl)-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 163841028
7-(bromomethyl)-8-fluoro-3-(1-fluoroethyl)-1H-quinoxalin-2-one;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide;5-[4-[[5-fluoro-2-[(1R)-1-fluoroethyl]-3-oxo-4H-quinolin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide;5-[4-[[5-fluoro-2-[(1S)-1-fluoroethyl]-3-oxo-4H-quinolin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
CID 164008998

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-2-ethyl-4H-quinolin-3-one;tert-butyl 4-[2-(difluoromethyl)-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-ethenyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-formyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;6-(difluoromethyl)-5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-(difluoromethyl)-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide?
The IUPAC name of 6-(bromomethyl)-2-ethyl-4H-quinolin-3-one;tert-butyl 4-[2-(difluoromethyl)-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-ethenyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-formyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;6-(difluoromethyl)-5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-(difluoromethyl)-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide (CID 164972038) is 6-(bromomethyl)-2-ethyl-4H-quinolin-3-one;tert-butyl 4-[2-(difluoromethyl)-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-ethenyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-formyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;6-(difluoromethyl)-5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-(difluoromethyl)-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-(bromomethyl)-2-ethyl-4H-quinolin-3-one;tert-butyl 4-[2-(difluoromethyl)-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-ethenyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-formyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;6-(difluoromethyl)-5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-(difluoromethyl)-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide?
The canonical SMILES for 6-(bromomethyl)-2-ethyl-4H-quinolin-3-one;tert-butyl 4-[2-(difluoromethyl)-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-ethenyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-formyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;6-(difluoromethyl)-5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-(difluoromethyl)-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide is C=Cc1nc(C(=O)NC)ccc1N1CCN(C(=O)OC(C)(C)C)CC1.CCC1=Nc2ccc(CBr)cc2CC1=O.CCC1=Nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4C(F)F)CC3)cc2CC1=O.CNC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C(F)F)n1.CNC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C=O)n1.CNC(=O)c1ccc(N2CCNCC2)c(C(F)F)n1.
What is the InChIKey of 6-(bromomethyl)-2-ethyl-4H-quinolin-3-one;tert-butyl 4-[2-(difluoromethyl)-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-ethenyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-formyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;6-(difluoromethyl)-5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-(difluoromethyl)-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide?
The InChIKey is DGHVYCPDQSHMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N5O2.C18H26N4O3.C17H24F2N4O3.C17H24N4O4.C12H12BrNO.C12H16F2N4O/c1-3-17-21(32)13-16-12-15(4-5-18(16)28-17)14-30-8-10-31(11-9-30)20-7-6-19(24(33)27-2)29-22(20)23(25)26;1-6-13-15(8-7-14(20-13)16(23)19-5)21-9-11-22(12-10-21)17(24)25-18(2,3)4;1-17(2,3)26-16(25)23-9-7-22(8-10-23)12-6-5-11(15(24)20-4)21-13(12)14(18)19;1-17(2,3)25-16(24)21-9-7-20(8-10-21)14-6-5-12(15(23)18-4)19-13(14)11-22;1-2-10-12(15)6-9-5-8(7-13)3-4-11(9)14-10;1-15-12(19)8-2-3-9(10(17-8)11(13)14)18-6-4-16-5-7-18/h4-7,12,23H,3,8-11,13-14H2,1-2H3,(H,27,33);6-8H,1,9-12H2,2-5H3,(H,19,23);5-6,14H,7-10H2,1-4H3,(H,20,24);5-6,11H,7-10H2,1-4H3,(H,18,23);3-5H,2,6-7H2,1H3;2-3,11,16H,4-7H2,1H3,(H,15,19).
What are the key properties of 6-(bromomethyl)-2-ethyl-4H-quinolin-3-one;tert-butyl 4-[2-(difluoromethyl)-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-ethenyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-formyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;6-(difluoromethyl)-5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-(difluoromethyl)-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide?
6-(bromomethyl)-2-ethyl-4H-quinolin-3-one;tert-butyl 4-[2-(difluoromethyl)-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-ethenyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-formyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;6-(difluoromethyl)-5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-(difluoromethyl)-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide has a molecular weight of 2057.16 g/mol, XLogP of 13.17, 20 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-2-ethyl-4H-quinolin-3-one;tert-butyl 4-[2-(difluoromethyl)-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-ethenyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-formyl-6-(methylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;6-(difluoromethyl)-5-[4-[(2-ethyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-(difluoromethyl)-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 164972038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).