ethyl 6-(2-ethoxycarbonylbut-1-enyl)-5-nitropyridine-3-carboxylate;ethyl 7-ethyl-6-oxo-7,8-dihydro-5H-quinoline-3-carboxylate;ethyl 7-ethyl-6-oxo-5H-quinoline-3-carboxylate;ethyl 6-formyl-5-nitropyridine-3-carboxylate;7-ethyl-3-(hydroxymethyl)-5H-quinolin-6-one;ethyl 6-methyl-5-nitropyridine-3-carboxylate;7-ethyl-3-[[4-(6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-5H-quinolin-6-one;1-(5-piperazin-1-yl-2-pyridinyl)propan-1-one

C109H126N16O26 — CID 158004645

IUPACethyl 6-(2-ethoxycarbonylbut-1-enyl)-5-nitropyridine-3-carboxylate;ethyl 7-ethyl-6-oxo-7,8-dihydro-5H-quinoline-3-carboxylate;ethyl 7-ethyl-6-oxo-5H-quinoline-3-carboxylate;ethyl 6-formyl-5-nitropyridine-3-carboxylate;7-ethyl-3-(hydroxymethyl)-5H-quinolin-6-one;ethyl 6-methyl-5-nitropyridine-3-carboxylate;7-ethyl-3-[[4-(6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-5H-quinolin-6-one;1-(5-piperazin-1-yl-2-pyridinyl)propan-1-one
SMILESCCC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)CC(=O)C(CC)=C4)CC2)cn1.CCC(=O)c1ccc(N2CCNCC2)cn1.CCC1=Cc2ncc(CO)cc2CC1=O.CCOC(=O)C(=Cc1ncc(C(=O)OCC)cc1[N+](=O)[O-])CC.CCOC(=O)c1cnc(C)c([N+](=O)[O-])c1.CCOC(=O)c1cnc(C=O)c([N+](=O)[O-])c1.CCOC(=O)c1cnc2c(c1)CC(=O)C(CC)=C2.CCOC(=O)c1cnc2c(c1)CC(=O)C(CC)C2
InChIInChI=1S/C24H28N4O2.C15H18N2O6.C14H17NO3.C14H15NO3.C12H17N3O.C12H13NO2.C9H8N2O5.C9H10N2O4/c1-3-18-12-22-19(13-24(18)30)11-17(14-25-22)16-27-7-9-28(10-8-27)20-5-6-21(26-15-20)23(29)4-2;1-4-10(14(18)22-5-2)7-12-13(17(20)21)8-11(9-16-12)15(19)23-6-3;2*1-3-9-6-12-10(7-13(9)16)5-11(8-15-12)14(17)18-4-2;1-2-12(16)11-4-3-10(9-14-11)15-7-5-13-6-8-15;1-2-9-4-11-10(5-12(9)15)3-8(7-14)6-13-11;1-2-16-9(13)6-3-8(11(14)15)7(5-12)10-4-6;1-3-15-9(12)7-4-8(11(13)14)6(2)10-5-7/h5-6,11-12,14-15H,3-4,7-10,13,16H2,1-2H3;7-9H,4-6H2,1-3H3;5,8-9H,3-4,6-7H2,1-2H3;5-6,8H,3-4,7H2,1-2H3;3-4,9,13H,2,5-8H2,1H3;3-4,6,14H,2,5,7H2,1H3;3-5H,2H2,1H3;4-5H,3H2,1-2H3
InChIKeyFEDHAZYNQIDARU-UHFFFAOYSA-N
MW2076.29 g/mol
LogP14.99
Rot. Bonds31

About ethyl 6-(2-ethoxycarbonylbut-1-enyl)-5-nitropyridine-3-carboxylate;ethyl 7-ethyl-6-oxo-7,8-dihydro-5H-quinoline-3-carboxylate;ethyl 7-ethyl-6-oxo-5H-quinoline-3-carboxylate;ethyl 6-formyl-5-nitropyridine-3-carboxylate;7-ethyl-3-(hydroxymethyl)-5H-quinolin-6-one;ethyl 6-methyl-5-nitropyridine-3-carboxylate;7-ethyl-3-[[4-(6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-5H-quinolin-6-one;1-(5-piperazin-1-yl-2-pyridinyl)propan-1-one

ethyl 6-(2-ethoxycarbonylbut-1-enyl)-5-nitropyridine-3-carboxylate;ethyl 7-ethyl-6-oxo-7,8-dihydro-5H-quinoline-3-carboxylate;ethyl 7-ethyl-6-oxo-5H-quinoline-3-carboxylate;ethyl 6-formyl-5-nitropyridine-3-carboxylate;7-ethyl-3-(hydroxymethyl)-5H-quinolin-6-one;ethyl 6-methyl-5-nitropyridine-3-carboxylate;7-ethyl-3-[[4-(6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-5H-quinolin-6-one;1-(5-piperazin-1-yl-2-pyridinyl)propan-1-one (PubChem CID 158004645) has the molecular formula C109H126N16O26 and a molecular weight of 2076.29 g/mol. Its IUPAC name is ethyl 6-(2-ethoxycarbonylbut-1-enyl)-5-nitropyridine-3-carboxylate;ethyl 7-ethyl-6-oxo-7,8-dihydro-5H-quinoline-3-carboxylate;ethyl 7-ethyl-6-oxo-5H-quinoline-3-carboxylate;ethyl 6-formyl-5-nitropyridine-3-carboxylate;7-ethyl-3-(hydroxymethyl)-5H-quinolin-6-one;ethyl 6-methyl-5-nitropyridine-3-carboxylate;7-ethyl-3-[[4-(6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-5H-quinolin-6-one;1-(5-piperazin-1-yl-2-pyridinyl)propan-1-one.

Molecular Properties

Compound Nameethyl 6-(2-ethoxycarbonylbut-1-enyl)-5-nitropyridine-3-carboxylate;ethyl 7-ethyl-6-oxo-7,8-dihydro-5H-quinoline-3-carboxylate;ethyl 7-ethyl-6-oxo-5H-quinoline-3-carboxylate;ethyl 6-formyl-5-nitropyridine-3-carboxylate;7-ethyl-3-(hydroxymethyl)-5H-quinolin-6-one;ethyl 6-methyl-5-nitropyridine-3-carboxylate;7-ethyl-3-[[4-(6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-5H-quinolin-6-one;1-(5-piperazin-1-yl-2-pyridinyl)propan-1-one
PubChem CID158004645
Molecular FormulaC109H126N16O26
Molecular Weight2076.29 g/mol
Exact Mass2074.90
IUPAC Nameethyl 6-(2-ethoxycarbonylbut-1-enyl)-5-nitropyridine-3-carboxylate;ethyl 7-ethyl-6-oxo-7,8-dihydro-5H-quinoline-3-carboxylate;ethyl 7-ethyl-6-oxo-5H-quinoline-3-carboxylate;ethyl 6-formyl-5-nitropyridine-3-carboxylate;7-ethyl-3-(hydroxymethyl)-5H-quinolin-6-one;ethyl 6-methyl-5-nitropyridine-3-carboxylate;7-ethyl-3-[[4-(6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-5H-quinolin-6-one;1-(5-piperazin-1-yl-2-pyridinyl)propan-1-one
SMILESCCC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)CC(=O)C(CC)=C4)CC2)cn1.CCC(=O)c1ccc(N2CCNCC2)cn1.CCC1=Cc2ncc(CO)cc2CC1=O.CCOC(=O)C(=Cc1ncc(C(=O)OCC)cc1[N+](=O)[O-])CC.CCOC(=O)c1cnc(C)c([N+](=O)[O-])c1.CCOC(=O)c1cnc(C=O)c([N+](=O)[O-])c1.CCOC(=O)c1cnc2c(c1)CC(=O)C(CC)=C2.CCOC(=O)c1cnc2c(c1)CC(=O)C(CC)C2
InChIInChI=1S/C24H28N4O2.C15H18N2O6.C14H17NO3.C14H15NO3.C12H17N3O.C12H13NO2.C9H8N2O5.C9H10N2O4/c1-3-18-12-22-19(13-24(18)30)11-17(14-25-22)16-27-7-9-28(10-8-27)20-5-6-21(26-15-20)23(29)4-2;1-4-10(14(18)22-5-2)7-12-13(17(20)21)8-11(9-16-12)15(19)23-6-3;2*1-3-9-6-12-10(7-13(9)16)5-11(8-15-12)14(17)18-4-2;1-2-12(16)11-4-3-10(9-14-11)15-7-5-13-6-8-15;1-2-9-4-11-10(5-12(9)15)3-8(7-14)6-13-11;1-2-16-9(13)6-3-8(11(14)15)7(5-12)10-4-6;1-3-15-9(12)7-4-8(11(13)14)6(2)10-5-7/h5-6,11-12,14-15H,3-4,7-10,13,16H2,1-2H3;7-9H,4-6H2,1-3H3;5,8-9H,3-4,6-7H2,1-2H3;5-6,8H,3-4,7H2,1-2H3;3-4,9,13H,2,5-8H2,1H3;3-4,6,14H,2,5,7H2,1H3;3-5H,2H2,1H3;4-5H,3H2,1-2H3
InChIKeyFEDHAZYNQIDARU-UHFFFAOYSA-N
XLogP14.99
TPSA564.70 Ų
H-Bond Donors2
H-Bond Acceptors39
Rotatable Bonds31
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002076.29
LogP ≤ 514.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 6-(2-ethoxycarbonylbut-1-enyl)-5-nitropyridine-3-carboxylate;ethyl 7-ethyl-6-oxo-7,8-dihydro-5H-quinoline-3-carboxylate;ethyl 7-ethyl-6-oxo-5H-quinoline-3-carboxylate;ethyl 6-formyl-5-nitropyridine-3-carboxylate;7-ethyl-3-(hydroxymethyl)-5H-quinolin-6-one;ethyl 6-methyl-5-nitropyridine-3-carboxylate;7-ethyl-3-[[4-(6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-5H-quinolin-6-one;1-(5-piperazin-1-yl-2-pyridinyl)propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

6-(hydroxymethyl)-2-(2,2,2-trifluoroethyl)-4H-quinolin-3-one;methyl 2-amino-4,4,4-trifluorobutanoate;methyl 3-nitro-4-[(1,1,1-trifluoro-4-oxopentan-3-yl)amino]benzoate;methyl 3-oxo-2-(2,2,2-trifluoroethyl)-2,4-dihydro-1H-quinoline-6-carboxylate;methyl 3-oxo-2-(2,2,2-trifluoroethyl)-4H-quinoline-6-carboxylate;6-[[4-(6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-2-(2,2,2-trifluoroethyl)-4H-quinolin-3-one
CID 165018527
ethyl 4-methylquinoline-3-carboxylate;ethyl 4-phenylquinoline-3-carboxylate;N-methoxy-N-methyl-4-phenylquinoline-3-carboxamide;4-phenylquinoline-3-carboxylic acid;1-(4-phenylquinolin-3-yl)ethanone;(E)-1-(4-phenylquinolin-3-yl)-3-pyridin-2-ylprop-2-en-1-one;pyridine-2-carbaldehyde
CID 157784633
Ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 4-(cyclohexylamino)-3-[(4-ethoxycarbonylphenyl)methylamino]benzoate;ethyl 4-(cyclohexylamino)-3-[(4-methoxycarbonylphenyl)methylamino]benzoate;ethyl 6-(cyclohexylmethyl)-5-nitropyridine-3-carboxylate
CID 158069082
Ethyl 5-amino-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 5-(benzylamino)-6-(cyclohexylmethyl)pyridine-3-carboxylate;ethyl 4-(cyclohexylamino)-3-[(4-ethoxycarbonylphenyl)methylamino]benzoate;ethyl 6-(cyclohexylmethyl)-5-nitropyridine-3-carboxylate;ethyl 6-(cyclohexylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxylate
CID 158136565
(3S)-1-[(2S)-2-[[(2S)-2-[[(E)-4-[3-[(1R)-1-hydroxyethyl]-1,7-naphthyridin-6-yl]-2,2-dimethylbut-3-enoyl]amino]-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxylic acid;methane;(2-methyl-6-nitrobenzoyl) 2-methyl-6-nitrobenzoate;(2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-propan-2-yl-3-oxa-9,12,15,21,24,29-hexazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone
CID 158277185
(3S)-1-[(2S)-2-[[(2S)-2-[[(E)-4-[3-[(1R)-1-hydroxyethyl]-1,7-naphthyridin-6-yl]-2,2-dimethylbut-3-enoyl]amino]-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxylic acid;(2-methyl-6-nitrobenzoyl) 2-methyl-6-nitrobenzoate;(2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-propan-2-yl-3-oxa-9,12,15,21,24,29-hexazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone
CID 159123354
N-[2-(dimethylamino)ethyl]-6-propan-2-ylpyridine-3-carboxamide;N,N-dimethyl-6-propan-2-ylpyridine-2-carboxamide;N,N-dimethyl-6-propan-2-ylpyridine-3-carboxamide;N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;ethyl 6-propan-2-ylpyridine-3-carboxylate;3-fluoro-2-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(6-propan-2-yl-3-pyridinyl)methanone;methyl 6-propan-2-ylpyridine-3-carboxylate;N-methyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;6-propan-2-ylpyridine-3-carboxamide;6-propan-2-ylpyridine-3-carboxylic acid;6-propan-2-yl-1H-pyridin-2-one
CID 160419340
(3S)-1-[(2S)-2-[[(2S)-2-[[(E)-4-[3-[(1R)-1-hydroxyethyl]-1,7-naphthyridin-6-yl]-2,2-dimethylbut-3-enoyl]amino]-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxylic acid;(2-methyl-6-nitrobenzoyl) 2-methyl-6-nitrobenzoate;(2R,5S,11S,14S)-2,11,17,17-tetramethyl-14-propan-2-yl-3-oxa-9,12,15,21,24,29-hexazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(25),20(28),21,23,26-pentaene-4,10,13,16-tetrone
CID 160621118
N-[(4-chlorophenyl)methyl]-6-(hydroxymethyl)-1-methyl-4-oxo-1,5-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-methyl-6-(morpholin-4-ylmethyl)-4-oxo-1,5-naphthyridine-3-carboxamide;diethyl 2-[[[6-(hydroxymethyl)-3-pyridinyl]-methylamino]methylidene]propanedioate;ethyl 6-(acetyloxymethyl)-1-methyl-4-oxo-1,5-naphthyridine-3-carboxylate;[6-(hydroxymethyl)-3-pyridinyl]azanide;5-nitropyridine-2-carbaldehyde;bis(yttrium)
CID 161632583
5-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;5-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;methyl 4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate;5-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylic acid
CID 162239576
2-(2,2-difluoroethyl)-6-(hydroxymethyl)-4H-quinolin-3-one;2-(2,2-difluoroethyl)-3-oxo-4H-quinoline-6-carbaldehyde;2-(2,2-difluoroethyl)-6-[[4-(6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-4H-quinolin-3-one;methyl 2-amino-4,4-difluorobutanoate;methyl 2-(2,2-difluoroethyl)-3-oxo-2,4-dihydro-1H-quinoline-6-carboxylate;methyl 2-(2,2-difluoroethyl)-3-oxo-4H-quinoline-6-carboxylate;methyl 4-[(4,4-difluoro-1-methoxy-1-oxobutan-2-yl)amino]-3-nitrobenzoate;hydrochloride
CID 165013659
2-(2-fluoroethyl)-6-(hydroxymethyl)-4H-quinolin-3-one;2-(2-fluoroethyl)-3-oxo-4H-quinoline-6-carbaldehyde;2-(2-fluoroethyl)-6-[[4-(6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-4H-quinolin-3-one;methyl 2-amino-4-fluorobutanoate;methyl 2-(2-fluoroethyl)-3-oxo-2,4-dihydro-1H-quinoline-6-carboxylate;methyl 2-(2-fluoroethyl)-3-oxo-4H-quinoline-6-carboxylate;methyl 4-[(4-fluoro-1-methoxy-1-oxobutan-2-yl)amino]-3-nitrobenzoate
CID 165109919

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-ethoxycarbonylbut-1-enyl)-5-nitropyridine-3-carboxylate;ethyl 7-ethyl-6-oxo-7,8-dihydro-5H-quinoline-3-carboxylate;ethyl 7-ethyl-6-oxo-5H-quinoline-3-carboxylate;ethyl 6-formyl-5-nitropyridine-3-carboxylate;7-ethyl-3-(hydroxymethyl)-5H-quinolin-6-one;ethyl 6-methyl-5-nitropyridine-3-carboxylate;7-ethyl-3-[[4-(6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-5H-quinolin-6-one;1-(5-piperazin-1-yl-2-pyridinyl)propan-1-one?
The IUPAC name of ethyl 6-(2-ethoxycarbonylbut-1-enyl)-5-nitropyridine-3-carboxylate;ethyl 7-ethyl-6-oxo-7,8-dihydro-5H-quinoline-3-carboxylate;ethyl 7-ethyl-6-oxo-5H-quinoline-3-carboxylate;ethyl 6-formyl-5-nitropyridine-3-carboxylate;7-ethyl-3-(hydroxymethyl)-5H-quinolin-6-one;ethyl 6-methyl-5-nitropyridine-3-carboxylate;7-ethyl-3-[[4-(6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-5H-quinolin-6-one;1-(5-piperazin-1-yl-2-pyridinyl)propan-1-one (CID 158004645) is ethyl 6-(2-ethoxycarbonylbut-1-enyl)-5-nitropyridine-3-carboxylate;ethyl 7-ethyl-6-oxo-7,8-dihydro-5H-quinoline-3-carboxylate;ethyl 7-ethyl-6-oxo-5H-quinoline-3-carboxylate;ethyl 6-formyl-5-nitropyridine-3-carboxylate;7-ethyl-3-(hydroxymethyl)-5H-quinolin-6-one;ethyl 6-methyl-5-nitropyridine-3-carboxylate;7-ethyl-3-[[4-(6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-5H-quinolin-6-one;1-(5-piperazin-1-yl-2-pyridinyl)propan-1-one.
What is the SMILES notation for ethyl 6-(2-ethoxycarbonylbut-1-enyl)-5-nitropyridine-3-carboxylate;ethyl 7-ethyl-6-oxo-7,8-dihydro-5H-quinoline-3-carboxylate;ethyl 7-ethyl-6-oxo-5H-quinoline-3-carboxylate;ethyl 6-formyl-5-nitropyridine-3-carboxylate;7-ethyl-3-(hydroxymethyl)-5H-quinolin-6-one;ethyl 6-methyl-5-nitropyridine-3-carboxylate;7-ethyl-3-[[4-(6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-5H-quinolin-6-one;1-(5-piperazin-1-yl-2-pyridinyl)propan-1-one?
The canonical SMILES for ethyl 6-(2-ethoxycarbonylbut-1-enyl)-5-nitropyridine-3-carboxylate;ethyl 7-ethyl-6-oxo-7,8-dihydro-5H-quinoline-3-carboxylate;ethyl 7-ethyl-6-oxo-5H-quinoline-3-carboxylate;ethyl 6-formyl-5-nitropyridine-3-carboxylate;7-ethyl-3-(hydroxymethyl)-5H-quinolin-6-one;ethyl 6-methyl-5-nitropyridine-3-carboxylate;7-ethyl-3-[[4-(6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-5H-quinolin-6-one;1-(5-piperazin-1-yl-2-pyridinyl)propan-1-one is CCC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)CC(=O)C(CC)=C4)CC2)cn1.CCC(=O)c1ccc(N2CCNCC2)cn1.CCC1=Cc2ncc(CO)cc2CC1=O.CCOC(=O)C(=Cc1ncc(C(=O)OCC)cc1[N+](=O)[O-])CC.CCOC(=O)c1cnc(C)c([N+](=O)[O-])c1.CCOC(=O)c1cnc(C=O)c([N+](=O)[O-])c1.CCOC(=O)c1cnc2c(c1)CC(=O)C(CC)=C2.CCOC(=O)c1cnc2c(c1)CC(=O)C(CC)C2.
What is the InChIKey of ethyl 6-(2-ethoxycarbonylbut-1-enyl)-5-nitropyridine-3-carboxylate;ethyl 7-ethyl-6-oxo-7,8-dihydro-5H-quinoline-3-carboxylate;ethyl 7-ethyl-6-oxo-5H-quinoline-3-carboxylate;ethyl 6-formyl-5-nitropyridine-3-carboxylate;7-ethyl-3-(hydroxymethyl)-5H-quinolin-6-one;ethyl 6-methyl-5-nitropyridine-3-carboxylate;7-ethyl-3-[[4-(6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-5H-quinolin-6-one;1-(5-piperazin-1-yl-2-pyridinyl)propan-1-one?
The InChIKey is FEDHAZYNQIDARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2.C15H18N2O6.C14H17NO3.C14H15NO3.C12H17N3O.C12H13NO2.C9H8N2O5.C9H10N2O4/c1-3-18-12-22-19(13-24(18)30)11-17(14-25-22)16-27-7-9-28(10-8-27)20-5-6-21(26-15-20)23(29)4-2;1-4-10(14(18)22-5-2)7-12-13(17(20)21)8-11(9-16-12)15(19)23-6-3;2*1-3-9-6-12-10(7-13(9)16)5-11(8-15-12)14(17)18-4-2;1-2-12(16)11-4-3-10(9-14-11)15-7-5-13-6-8-15;1-2-9-4-11-10(5-12(9)15)3-8(7-14)6-13-11;1-2-16-9(13)6-3-8(11(14)15)7(5-12)10-4-6;1-3-15-9(12)7-4-8(11(13)14)6(2)10-5-7/h5-6,11-12,14-15H,3-4,7-10,13,16H2,1-2H3;7-9H,4-6H2,1-3H3;5,8-9H,3-4,6-7H2,1-2H3;5-6,8H,3-4,7H2,1-2H3;3-4,9,13H,2,5-8H2,1H3;3-4,6,14H,2,5,7H2,1H3;3-5H,2H2,1H3;4-5H,3H2,1-2H3.
What are the key properties of ethyl 6-(2-ethoxycarbonylbut-1-enyl)-5-nitropyridine-3-carboxylate;ethyl 7-ethyl-6-oxo-7,8-dihydro-5H-quinoline-3-carboxylate;ethyl 7-ethyl-6-oxo-5H-quinoline-3-carboxylate;ethyl 6-formyl-5-nitropyridine-3-carboxylate;7-ethyl-3-(hydroxymethyl)-5H-quinolin-6-one;ethyl 6-methyl-5-nitropyridine-3-carboxylate;7-ethyl-3-[[4-(6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-5H-quinolin-6-one;1-(5-piperazin-1-yl-2-pyridinyl)propan-1-one?
ethyl 6-(2-ethoxycarbonylbut-1-enyl)-5-nitropyridine-3-carboxylate;ethyl 7-ethyl-6-oxo-7,8-dihydro-5H-quinoline-3-carboxylate;ethyl 7-ethyl-6-oxo-5H-quinoline-3-carboxylate;ethyl 6-formyl-5-nitropyridine-3-carboxylate;7-ethyl-3-(hydroxymethyl)-5H-quinolin-6-one;ethyl 6-methyl-5-nitropyridine-3-carboxylate;7-ethyl-3-[[4-(6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-5H-quinolin-6-one;1-(5-piperazin-1-yl-2-pyridinyl)propan-1-one has a molecular weight of 2076.29 g/mol, XLogP of 14.99, 31 rotatable bonds, 2 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-ethoxycarbonylbut-1-enyl)-5-nitropyridine-3-carboxylate;ethyl 7-ethyl-6-oxo-7,8-dihydro-5H-quinoline-3-carboxylate;ethyl 7-ethyl-6-oxo-5H-quinoline-3-carboxylate;ethyl 6-formyl-5-nitropyridine-3-carboxylate;7-ethyl-3-(hydroxymethyl)-5H-quinolin-6-one;ethyl 6-methyl-5-nitropyridine-3-carboxylate;7-ethyl-3-[[4-(6-propanoyl-3-pyridinyl)piperazin-1-yl]methyl]-5H-quinolin-6-one;1-(5-piperazin-1-yl-2-pyridinyl)propan-1-one is sourced from PubChem (CID 158004645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).