4-[3-chloro-4-(2-pyridin-2-ylethyl)anilino]-6-[4-(dimethylamino)-2-oxobutyl]-7-ethoxyquinoline-3-carbonitrile;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[3-[4-methyl-3-(4-phenoxyphenyl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;9-(1-methylpyrazol-4-yl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one

C106H102ClFN20O9 — CID 157205234

IUPAC4-[3-chloro-4-(2-pyridin-2-ylethyl)anilino]-6-[4-(dimethylamino)-2-oxobutyl]-7-ethoxyquinoline-3-carbonitrile;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[3-[4-methyl-3-(4-phenoxyphenyl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;9-(1-methylpyrazol-4-yl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one
SMILESC=CC(=O)N1CCCC(N2NC(c3ccc(Oc4ccccc4)cc3)c3c(C)ncnc32)C1.C=CC(=O)N1CCc2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnn(C)c6)cc5c43)cc21.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1.CCOc1cc2ncc(C#N)c(Nc3ccc(CCc4ccccn4)c(Cl)c3)c2cc1CC(=O)CCN(C)C
InChIInChI=1S/C31H32ClN5O2.C27H21N5O2.C26H27N5O2.C22H22FN5O3/c1-4-39-30-18-29-27(16-22(30)15-26(38)12-14-37(2)3)31(23(19-33)20-35-29)36-25-11-9-21(28(32)17-25)8-10-24-7-5-6-13-34-24;1-3-25(33)31-11-10-17-4-7-21(13-24(17)31)32-26(34)9-6-19-14-28-23-8-5-18(12-22(23)27(19)32)20-15-29-30(2)16-20;1-3-23(32)30-15-7-8-20(16-30)31-26-24(18(2)27-17-28-26)25(29-31)19-11-13-22(14-12-19)33-21-9-5-4-6-10-21;1-3-20(29)25-16-5-4-6-17(13-16)26-21-19(23)14-24-22(28-21)27-15-7-9-18(10-8-15)31-12-11-30-2/h5-7,9,11,13,16-18,20H,4,8,10,12,14-15H2,1-3H3,(H,35,36);3-9,12-16H,1,10-11H2,2H3;3-6,9-14,17,20,25,29H,1,7-8,15-16H2,2H3;3-10,13-14H,1,11-12H2,2H3,(H,25,29)(H2,24,26,27,28)
InChIKeyARGUNMVIVQLOSX-UHFFFAOYSA-N
MW1854.56 g/mol
LogP18.58
Rot. Bonds30

About 4-[3-chloro-4-(2-pyridin-2-ylethyl)anilino]-6-[4-(dimethylamino)-2-oxobutyl]-7-ethoxyquinoline-3-carbonitrile;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[3-[4-methyl-3-(4-phenoxyphenyl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;9-(1-methylpyrazol-4-yl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one

4-[3-chloro-4-(2-pyridin-2-ylethyl)anilino]-6-[4-(dimethylamino)-2-oxobutyl]-7-ethoxyquinoline-3-carbonitrile;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[3-[4-methyl-3-(4-phenoxyphenyl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;9-(1-methylpyrazol-4-yl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one (PubChem CID 157205234) has the molecular formula C106H102ClFN20O9 and a molecular weight of 1854.56 g/mol. Its IUPAC name is 4-[3-chloro-4-(2-pyridin-2-ylethyl)anilino]-6-[4-(dimethylamino)-2-oxobutyl]-7-ethoxyquinoline-3-carbonitrile;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[3-[4-methyl-3-(4-phenoxyphenyl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;9-(1-methylpyrazol-4-yl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one.

Molecular Properties

Compound Name4-[3-chloro-4-(2-pyridin-2-ylethyl)anilino]-6-[4-(dimethylamino)-2-oxobutyl]-7-ethoxyquinoline-3-carbonitrile;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[3-[4-methyl-3-(4-phenoxyphenyl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;9-(1-methylpyrazol-4-yl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one
PubChem CID157205234
Molecular FormulaC106H102ClFN20O9
Molecular Weight1854.56 g/mol
Exact Mass1852.78
IUPAC Name4-[3-chloro-4-(2-pyridin-2-ylethyl)anilino]-6-[4-(dimethylamino)-2-oxobutyl]-7-ethoxyquinoline-3-carbonitrile;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[3-[4-methyl-3-(4-phenoxyphenyl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;9-(1-methylpyrazol-4-yl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one
SMILESC=CC(=O)N1CCCC(N2NC(c3ccc(Oc4ccccc4)cc3)c3c(C)ncnc32)C1.C=CC(=O)N1CCc2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnn(C)c6)cc5c43)cc21.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1.CCOc1cc2ncc(C#N)c(Nc3ccc(CCc4ccccn4)c(Cl)c3)c2cc1CC(=O)CCN(C)C
InChIInChI=1S/C31H32ClN5O2.C27H21N5O2.C26H27N5O2.C22H22FN5O3/c1-4-39-30-18-29-27(16-22(30)15-26(38)12-14-37(2)3)31(23(19-33)20-35-29)36-25-11-9-21(28(32)17-25)8-10-24-7-5-6-13-34-24;1-3-25(33)31-11-10-17-4-7-21(13-24(17)31)32-26(34)9-6-19-14-28-23-8-5-18(12-22(23)27(19)32)20-15-29-30(2)16-20;1-3-23(32)30-15-7-8-20(16-30)31-26-24(18(2)27-17-28-26)25(29-31)19-11-13-22(14-12-19)33-21-9-5-4-6-10-21;1-3-20(29)25-16-5-4-6-17(13-16)26-21-19(23)14-24-22(28-21)27-15-7-9-18(10-8-15)31-12-11-30-2/h5-7,9,11,13,16-18,20H,4,8,10,12,14-15H2,1-3H3,(H,35,36);3-9,12-16H,1,10-11H2,2H3;3-6,9-14,17,20,25,29H,1,7-8,15-16H2,2H3;3-10,13-14H,1,11-12H2,2H3,(H,25,29)(H2,24,26,27,28)
InChIKeyARGUNMVIVQLOSX-UHFFFAOYSA-N
XLogP18.58
TPSA332.15 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds30
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001854.56
LogP ≤ 518.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-[3-chloro-4-(2-pyridin-2-ylethyl)anilino]-6-[4-(dimethylamino)-2-oxobutyl]-7-ethoxyquinoline-3-carbonitrile;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[3-[4-methyl-3-(4-phenoxyphenyl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;9-(1-methylpyrazol-4-yl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one with MolForge

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Related Compounds

2-[2-[2-[2-[4-[3-[[4-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]methylamino]-3-oxopropyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl-[(E)-5-[4-(3-chloro-4-fluoroanilino)-7-[(3R)-oxolan-3-yl]oxyquinazolin-6-yl]-4-oxopent-2-enyl]-dimethylazanium
CID 156059169
2-[2-[2-[2-[4-[5-[4-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]-3-oxopentyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl-[(E)-5-[4-(3-chloro-4-fluoroanilino)-7-[(3R)-oxolan-3-yl]oxyquinazolin-6-yl]-4-oxopent-2-enyl]-dimethylazanium
CID 158746469
(E)-1-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-4-[(2S)-1-methylpyrrolidin-2-yl]but-3-en-2-one;(E)-1-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-4-[(2R)-1-methylpyrrolidin-2-yl]but-3-en-2-one;(E)-1-[4-(3-chloro-4-fluoroanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]-4-[(2R)-1-methylpyrrolidin-2-yl]but-3-en-2-one;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-(1-methylpiperidin-2-yl)-2-oxobut-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-4-(1-methylpyrrolidin-2-yl)-2-oxobut-3-enyl]quinoline-3-carbonitrile
CID 158760249
(E)-1-[7-ethoxy-4-[3-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-1-methylpyrrolidin-2-yl]but-3-en-2-one;(E)-1-[7-ethoxy-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-1-methylpyrrolidin-2-yl]but-3-en-2-one;(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-2-oxobut-3-enyl]-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinoline-3-carbonitrile;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-pyrrolidin-2-yl]but-3-en-2-one;4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]-6-[(E)-2-oxo-4-[(2R)-pyrrolidin-2-yl]but-3-enyl]quinoline-3-carbonitrile
CID 160328505
N-tert-butyl-3-ethynylquinolin-4-amine;N-tert-butylquinolin-4-amine;4-tert-butylquinoline;4-(3-chloro-4-fluoroanilino)-6-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]-7-ethoxyquinoline-3-carbonitrile;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
CID 160353939
N-tert-butyl-3-ethynylquinolin-4-amine;N-tert-butylquinazolin-4-amine;N-tert-butylquinolin-4-amine;4-(3-chloro-4-fluoroanilino)-6-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]-7-ethoxyquinoline-3-carbonitrile;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
CID 160814675
N-tert-butyl-3-ethynylquinolin-4-amine;N-tert-butylquinolin-4-amine;4-tert-butylquinoline;4-(3-chloro-4-fluoroanilino)-6-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]-7-ethoxyquinoline-3-carbonitrile;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;methane;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
CID 161708506
(E)-4-[butyl(methyl)amino]-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]methyl]phenyl]but-2-enamide;(E)-4-[butyl(methyl)amino]-N-[2-(dimethylamino)-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]methyl]phenyl]but-2-enamide;(E)-4-[butyl(methyl)amino]-N-[4-methoxy-3-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]methyl]phenyl]but-2-enamide;4-[[(E)-5-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-4-oxopent-2-enyl]-methylamino]butyl acetate
CID 161875866
N-tert-butyl-3-ethynylquinolin-4-amine;N-tert-butylquinazolin-4-amine;4-tert-butylquinoline;4-(3-chloro-4-fluoroanilino)-6-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]-7-ethoxyquinoline-3-carbonitrile;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
CID 162115976
1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;(E)-1-[4-(3-chloro-4-fluoroanilino)-7-[(3R)-oxolan-3-yl]oxyquinazolin-6-yl]-5-(dimethylamino)pent-3-en-2-one;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-6-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]-7-ethenoxyquinoline-3-carbonitrile;1-[3-[[5-fluoro-2-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidin-4-yl]methyl]phenyl]but-3-en-2-one
CID 162276549
4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-6-[5-(dimethylamino)-2-oxo-4-sulfanylpentyl]-7-ethoxyquinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-(2-oxopenta-3,4-dienyl)quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-[(E)-2-oxopent-3-enyl]quinoline-3-carbonitrile;4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-(2-oxo-4-sulfanylpent-4-enyl)quinoline-3-carbonitrile;1-(3,4-dihydro-2H-pyridin-1-yl)prop-2-en-1-one;3-(4-phenoxyphenyl)-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;3-(4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 176520746

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-(2-pyridin-2-ylethyl)anilino]-6-[4-(dimethylamino)-2-oxobutyl]-7-ethoxyquinoline-3-carbonitrile;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[3-[4-methyl-3-(4-phenoxyphenyl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;9-(1-methylpyrazol-4-yl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one?
The IUPAC name of 4-[3-chloro-4-(2-pyridin-2-ylethyl)anilino]-6-[4-(dimethylamino)-2-oxobutyl]-7-ethoxyquinoline-3-carbonitrile;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[3-[4-methyl-3-(4-phenoxyphenyl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;9-(1-methylpyrazol-4-yl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one (CID 157205234) is 4-[3-chloro-4-(2-pyridin-2-ylethyl)anilino]-6-[4-(dimethylamino)-2-oxobutyl]-7-ethoxyquinoline-3-carbonitrile;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[3-[4-methyl-3-(4-phenoxyphenyl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;9-(1-methylpyrazol-4-yl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one.
What is the SMILES notation for 4-[3-chloro-4-(2-pyridin-2-ylethyl)anilino]-6-[4-(dimethylamino)-2-oxobutyl]-7-ethoxyquinoline-3-carbonitrile;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[3-[4-methyl-3-(4-phenoxyphenyl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;9-(1-methylpyrazol-4-yl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one?
The canonical SMILES for 4-[3-chloro-4-(2-pyridin-2-ylethyl)anilino]-6-[4-(dimethylamino)-2-oxobutyl]-7-ethoxyquinoline-3-carbonitrile;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[3-[4-methyl-3-(4-phenoxyphenyl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;9-(1-methylpyrazol-4-yl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one is C=CC(=O)N1CCCC(N2NC(c3ccc(Oc4ccccc4)cc3)c3c(C)ncnc32)C1.C=CC(=O)N1CCc2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnn(C)c6)cc5c43)cc21.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1.CCOc1cc2ncc(C#N)c(Nc3ccc(CCc4ccccn4)c(Cl)c3)c2cc1CC(=O)CCN(C)C.
What is the InChIKey of 4-[3-chloro-4-(2-pyridin-2-ylethyl)anilino]-6-[4-(dimethylamino)-2-oxobutyl]-7-ethoxyquinoline-3-carbonitrile;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[3-[4-methyl-3-(4-phenoxyphenyl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;9-(1-methylpyrazol-4-yl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one?
The InChIKey is ARGUNMVIVQLOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32ClN5O2.C27H21N5O2.C26H27N5O2.C22H22FN5O3/c1-4-39-30-18-29-27(16-22(30)15-26(38)12-14-37(2)3)31(23(19-33)20-35-29)36-25-11-9-21(28(32)17-25)8-10-24-7-5-6-13-34-24;1-3-25(33)31-11-10-17-4-7-21(13-24(17)31)32-26(34)9-6-19-14-28-23-8-5-18(12-22(23)27(19)32)20-15-29-30(2)16-20;1-3-23(32)30-15-7-8-20(16-30)31-26-24(18(2)27-17-28-26)25(29-31)19-11-13-22(14-12-19)33-21-9-5-4-6-10-21;1-3-20(29)25-16-5-4-6-17(13-16)26-21-19(23)14-24-22(28-21)27-15-7-9-18(10-8-15)31-12-11-30-2/h5-7,9,11,13,16-18,20H,4,8,10,12,14-15H2,1-3H3,(H,35,36);3-9,12-16H,1,10-11H2,2H3;3-6,9-14,17,20,25,29H,1,7-8,15-16H2,2H3;3-10,13-14H,1,11-12H2,2H3,(H,25,29)(H2,24,26,27,28).
What are the key properties of 4-[3-chloro-4-(2-pyridin-2-ylethyl)anilino]-6-[4-(dimethylamino)-2-oxobutyl]-7-ethoxyquinoline-3-carbonitrile;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[3-[4-methyl-3-(4-phenoxyphenyl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;9-(1-methylpyrazol-4-yl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one?
4-[3-chloro-4-(2-pyridin-2-ylethyl)anilino]-6-[4-(dimethylamino)-2-oxobutyl]-7-ethoxyquinoline-3-carbonitrile;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[3-[4-methyl-3-(4-phenoxyphenyl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;9-(1-methylpyrazol-4-yl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one has a molecular weight of 1854.56 g/mol, XLogP of 18.58, 30 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-(2-pyridin-2-ylethyl)anilino]-6-[4-(dimethylamino)-2-oxobutyl]-7-ethoxyquinoline-3-carbonitrile;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[3-[4-methyl-3-(4-phenoxyphenyl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;9-(1-methylpyrazol-4-yl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one is sourced from PubChem (CID 157205234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).