1-[3-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-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;6-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide

C171H137N33O12 — CID 159046642

IUPAC1-[3-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-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;6-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cn3)c2c1.CN(C)c1ccc2nccc(Nc3cccc(C(=O)Cc4cccc(Cc5ccncc5)c4)c3)c2c1.COC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)nc3)c2c1.O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Nc2ccnc3ccc([N+](=O)[O-])cc23)cn1.O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Nc2ccnc3ccc([N+](=O)[O-])cc23)nc1.[C-]#[N+]c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cn3)c2c1
InChIInChI=1S/C31H28N4O.C29H26N6O.C29H23N5O3.C28H20N6O.2C27H20N6O3/c1-35(2)27-9-10-29-28(21-27)30(13-16-33-29)34-26-8-4-7-25(20-26)31(36)19-24-6-3-5-23(18-24)17-22-11-14-32-15-12-22;1-35(2)24-8-9-26-25(18-24)27(13-16-31-26)34-28-10-5-22(19-32-28)29(36)33-23-6-3-20(4-7-23)17-21-11-14-30-15-12-21;1-37-29(36)21-4-8-25-24(17-21)26(12-15-31-25)33-23-7-9-27(32-18-23)28(35)34-22-5-2-19(3-6-22)16-20-10-13-30-14-11-20;1-29-23-7-8-25-24(17-23)26(12-15-31-25)34-27-9-4-21(18-32-27)28(35)33-22-5-2-19(3-6-22)16-20-10-13-30-14-11-20;34-27(31-21-4-1-18(2-5-21)15-19-9-12-28-13-10-19)20-3-8-26(30-17-20)32-25-11-14-29-24-7-6-22(33(35)36)16-23(24)25;34-27(32-20-3-1-18(2-4-20)15-19-9-12-28-13-10-19)26-7-5-21(17-30-26)31-25-11-14-29-24-8-6-22(33(35)36)16-23(24)25/h3-16,18,20-21H,17,19H2,1-2H3,(H,33,34);3-16,18-19H,17H2,1-2H3,(H,33,36)(H,31,32,34);2-15,17-18H,16H2,1H3,(H,31,33)(H,34,35);2-15,17-18H,16H2,(H,33,35)(H,31,32,34);1-14,16-17H,15H2,(H,31,34)(H,29,30,32);1-14,16-17H,15H2,(H,29,31)(H,32,34)
InChIKeyJWSWBISZINUSDT-UHFFFAOYSA-N
MW2846.20 g/mol
LogP34.73
Rot. Bonds42

About 1-[3-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-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;6-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide

1-[3-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-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;6-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide (PubChem CID 159046642) has the molecular formula C171H137N33O12 and a molecular weight of 2846.20 g/mol. Its IUPAC name is 1-[3-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-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;6-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-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;6-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide
PubChem CID159046642
Molecular FormulaC171H137N33O12
Molecular Weight2846.20 g/mol
Exact Mass2844.11
IUPAC Name1-[3-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-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;6-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cn3)c2c1.CN(C)c1ccc2nccc(Nc3cccc(C(=O)Cc4cccc(Cc5ccncc5)c4)c3)c2c1.COC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)nc3)c2c1.O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Nc2ccnc3ccc([N+](=O)[O-])cc23)cn1.O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Nc2ccnc3ccc([N+](=O)[O-])cc23)nc1.[C-]#[N+]c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cn3)c2c1
InChIInChI=1S/C31H28N4O.C29H26N6O.C29H23N5O3.C28H20N6O.2C27H20N6O3/c1-35(2)27-9-10-29-28(21-27)30(13-16-33-29)34-26-8-4-7-25(20-26)31(36)19-24-6-3-5-23(18-24)17-22-11-14-32-15-12-22;1-35(2)24-8-9-26-25(18-24)27(13-16-31-26)34-28-10-5-22(19-32-28)29(36)33-23-6-3-20(4-7-23)17-21-11-14-30-15-12-21;1-37-29(36)21-4-8-25-24(17-21)26(12-15-31-25)33-23-7-9-27(32-18-23)28(35)34-22-5-2-19(3-6-22)16-20-10-13-30-14-11-20;1-29-23-7-8-25-24(17-23)26(12-15-31-25)34-27-9-4-21(18-32-27)28(35)33-22-5-2-19(3-6-22)16-20-10-13-30-14-11-20;34-27(31-21-4-1-18(2-5-21)15-19-9-12-28-13-10-19)20-3-8-26(30-17-20)32-25-11-14-29-24-7-6-22(33(35)36)16-23(24)25;34-27(32-20-3-1-18(2-4-20)15-19-9-12-28-13-10-19)26-7-5-21(17-30-26)31-25-11-14-29-24-8-6-22(33(35)36)16-23(24)25/h3-16,18,20-21H,17,19H2,1-2H3,(H,33,34);3-16,18-19H,17H2,1-2H3,(H,33,36)(H,31,32,34);2-15,17-18H,16H2,1H3,(H,31,33)(H,34,35);2-15,17-18H,16H2,(H,33,35)(H,31,32,34);1-14,16-17H,15H2,(H,31,34)(H,29,30,32);1-14,16-17H,15H2,(H,29,31)(H,32,34)
InChIKeyJWSWBISZINUSDT-UHFFFAOYSA-N
XLogP34.73
TPSA577.30 Ų
H-Bond Donors11
H-Bond Acceptors37
Rotatable Bonds42
Heavy Atoms216
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002846.20
LogP ≤ 534.73
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[3-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-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;6-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide with MolForge

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Related Compounds

1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-4H-pyrimido[5,4-c]quinolin-2-one;1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-3,4-dihydropyrimido[5,4-c]quinolin-2-one;1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-[1,3]oxazino[5,4-c]quinoline-2,4-dione
CID 159142495
6-(5-amino-2-methylphenyl)-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;(3E)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidine-2,4-dione;3-methylbenzoic acid;N-[4-methyl-3-[2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6-(2-methyl-5-nitrophenyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one;2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine
CID 159640206
1-(4-fluoro-3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-4H-pyrimido[5,4-c]quinolin-2-one;1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-3,4-dihydropyrimido[5,4-c]quinolin-2-one;1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-[1,3]oxazino[5,4-c]quinoline-2,4-dione
CID 161406696
N-[4-cyano-3-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]phenyl]prop-2-enamide;methyl 2-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]-6-(prop-2-enoylamino)benzoate
CID 118162820
Methyl 4-[[5-[[4-(pyridin-4-ylamino)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate
CID 130249565
6-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid
CID 157163093
4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid
CID 157185314
4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;methyl 4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylate;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid
CID 157189949
6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-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
CID 157258773
4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[(6-fluoroquinolin-4-yl)amino]pyridine-3-carboxamide;methyl 4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate
CID 157266394
ethyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate;1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;ethyl 6-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxylate;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;N-(oxan-4-yl)-1-(3-pyrimidin-2-ylquinolin-2-yl)piperidin-4-amine;propan-2-yl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate
CID 157455421
4-anilino-6-(ethylcarbamoylamino)-N-(3-fluoro-5-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-(1-methylindol-4-yl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide;methyl 4-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate
CID 157487759

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-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;6-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 1-[3-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-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;6-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide (CID 159046642) is 1-[3-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-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;6-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-[3-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-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;6-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 1-[3-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-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;6-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide is CN(C)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cn3)c2c1.CN(C)c1ccc2nccc(Nc3cccc(C(=O)Cc4cccc(Cc5ccncc5)c4)c3)c2c1.COC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)nc3)c2c1.O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Nc2ccnc3ccc([N+](=O)[O-])cc23)cn1.O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Nc2ccnc3ccc([N+](=O)[O-])cc23)nc1.[C-]#[N+]c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cn3)c2c1.
What is the InChIKey of 1-[3-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-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;6-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is JWSWBISZINUSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O.C29H26N6O.C29H23N5O3.C28H20N6O.2C27H20N6O3/c1-35(2)27-9-10-29-28(21-27)30(13-16-33-29)34-26-8-4-7-25(20-26)31(36)19-24-6-3-5-23(18-24)17-22-11-14-32-15-12-22;1-35(2)24-8-9-26-25(18-24)27(13-16-31-26)34-28-10-5-22(19-32-28)29(36)33-23-6-3-20(4-7-23)17-21-11-14-30-15-12-21;1-37-29(36)21-4-8-25-24(17-21)26(12-15-31-25)33-23-7-9-27(32-18-23)28(35)34-22-5-2-19(3-6-22)16-20-10-13-30-14-11-20;1-29-23-7-8-25-24(17-23)26(12-15-31-25)34-27-9-4-21(18-32-27)28(35)33-22-5-2-19(3-6-22)16-20-10-13-30-14-11-20;34-27(31-21-4-1-18(2-5-21)15-19-9-12-28-13-10-19)20-3-8-26(30-17-20)32-25-11-14-29-24-7-6-22(33(35)36)16-23(24)25;34-27(32-20-3-1-18(2-4-20)15-19-9-12-28-13-10-19)26-7-5-21(17-30-26)31-25-11-14-29-24-8-6-22(33(35)36)16-23(24)25/h3-16,18,20-21H,17,19H2,1-2H3,(H,33,34);3-16,18-19H,17H2,1-2H3,(H,33,36)(H,31,32,34);2-15,17-18H,16H2,1H3,(H,31,33)(H,34,35);2-15,17-18H,16H2,(H,33,35)(H,31,32,34);1-14,16-17H,15H2,(H,31,34)(H,29,30,32);1-14,16-17H,15H2,(H,29,31)(H,32,34).
What are the key properties of 1-[3-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-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;6-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide?
1-[3-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-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;6-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 2846.20 g/mol, XLogP of 34.73, 42 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-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;6-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 159046642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).