2-(4-aminophenyl)-2-methylpropanenitrile;4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;iodomethane;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;2-methyl-2-[4-(2-oxo-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;quinolin-3-ylboronic acid

C166H133BCl3IN30O12 — CID 158306522

IUPAC2-(4-aminophenyl)-2-methylpropanenitrile;4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;iodomethane;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;2-methyl-2-[4-(2-oxo-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;quinolin-3-ylboronic acid
SMILESCC(C)(C#N)c1ccc(-n2c(=O)[nH]c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)cc1.CC(C)(C#N)c1ccc(N)cc1.CC(C)(C#N)c1ccc(Nc2c(C(=O)O)cnc3ccc(-c4cnc5ccccc5c4)nc23)cc1.CCOC(=O)c1cnc2ccc(-c3cnc4ccccc4c3)nc2c1Cl.CCOC(=O)c1cnc2ccc(-c3cnc4ccccc4c3)nc2c1Nc1ccc(C(C)(C)C#N)cc1.CCOC(=O)c1cnc2ccc(Cl)nc2c1Cl.CI.Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3nc(-c4cnc5ccccc5c4)ccc3ncc21.OB(O)c1cnc2ccccc2c1
InChIInChI=1S/C30H25N5O2.C29H22N6O.C28H20N6O.C28H21N5O2.C20H14ClN3O2.C11H8Cl2N2O2.C10H12N2.C9H8BNO2.CH3I/c1-4-37-29(36)23-17-33-26-14-13-25(20-15-19-7-5-6-8-24(19)32-16-20)35-28(26)27(23)34-22-11-9-21(10-12-22)30(2,3)18-31;1-29(2,17-30)20-8-10-21(11-9-20)35-27-25(34(3)28(35)36)16-32-24-13-12-23(33-26(24)27)19-14-18-6-4-5-7-22(18)31-15-19;1-28(2,16-29)19-7-9-20(10-8-19)34-26-24(33-27(34)35)15-31-23-12-11-22(32-25(23)26)18-13-17-5-3-4-6-21(17)30-14-18;1-28(2,16-29)19-7-9-20(10-8-19)32-25-21(27(34)35)15-31-24-12-11-23(33-26(24)25)18-13-17-5-3-4-6-22(17)30-14-18;1-2-26-20(25)14-11-23-17-8-7-16(24-19(17)18(14)21)13-9-12-5-3-4-6-15(12)22-10-13;1-2-17-11(16)6-5-14-7-3-4-8(12)15-10(7)9(6)13;1-10(2,7-11)8-3-5-9(12)6-4-8;12-10(13)8-5-7-3-1-2-4-9(7)11-6-8;1-2/h5-17H,4H2,1-3H3,(H,33,34);4-16H,1-3H3;3-15H,1-2H3,(H,33,35);3-15H,1-2H3,(H,31,32)(H,34,35);3-11H,2H2,1H3;3-5H,2H2,1H3;3-6H,12H2,1-2H3;1-6,12-13H;1H3
InChIKeyGNDKTGQRPRJMAN-UHFFFAOYSA-N
MW2984.16 g/mol
LogP34.05
Rot. Bonds24

About 2-(4-aminophenyl)-2-methylpropanenitrile;4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;iodomethane;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;2-methyl-2-[4-(2-oxo-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;quinolin-3-ylboronic acid

2-(4-aminophenyl)-2-methylpropanenitrile;4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;iodomethane;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;2-methyl-2-[4-(2-oxo-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;quinolin-3-ylboronic acid (PubChem CID 158306522) has the molecular formula C166H133BCl3IN30O12 and a molecular weight of 2984.16 g/mol. Its IUPAC name is 2-(4-aminophenyl)-2-methylpropanenitrile;4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;iodomethane;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;2-methyl-2-[4-(2-oxo-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;quinolin-3-ylboronic acid.

Molecular Properties

Compound Name2-(4-aminophenyl)-2-methylpropanenitrile;4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;iodomethane;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;2-methyl-2-[4-(2-oxo-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;quinolin-3-ylboronic acid
PubChem CID158306522
Molecular FormulaC166H133BCl3IN30O12
Molecular Weight2984.16 g/mol
Exact Mass2980.89
IUPAC Name2-(4-aminophenyl)-2-methylpropanenitrile;4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;iodomethane;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;2-methyl-2-[4-(2-oxo-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;quinolin-3-ylboronic acid
SMILESCC(C)(C#N)c1ccc(-n2c(=O)[nH]c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)cc1.CC(C)(C#N)c1ccc(N)cc1.CC(C)(C#N)c1ccc(Nc2c(C(=O)O)cnc3ccc(-c4cnc5ccccc5c4)nc23)cc1.CCOC(=O)c1cnc2ccc(-c3cnc4ccccc4c3)nc2c1Cl.CCOC(=O)c1cnc2ccc(-c3cnc4ccccc4c3)nc2c1Nc1ccc(C(C)(C)C#N)cc1.CCOC(=O)c1cnc2ccc(Cl)nc2c1Cl.CI.Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3nc(-c4cnc5ccccc5c4)ccc3ncc21.OB(O)c1cnc2ccccc2c1
InChIInChI=1S/C30H25N5O2.C29H22N6O.C28H20N6O.C28H21N5O2.C20H14ClN3O2.C11H8Cl2N2O2.C10H12N2.C9H8BNO2.CH3I/c1-4-37-29(36)23-17-33-26-14-13-25(20-15-19-7-5-6-8-24(19)32-16-20)35-28(26)27(23)34-22-11-9-21(10-12-22)30(2,3)18-31;1-29(2,17-30)20-8-10-21(11-9-20)35-27-25(34(3)28(35)36)16-32-24-13-12-23(33-26(24)27)19-14-18-6-4-5-7-22(18)31-15-19;1-28(2,16-29)19-7-9-20(10-8-19)34-26-24(33-27(34)35)15-31-23-12-11-22(32-25(23)26)18-13-17-5-3-4-6-21(17)30-14-18;1-28(2,16-29)19-7-9-20(10-8-19)32-25-21(27(34)35)15-31-24-12-11-23(33-26(24)25)18-13-17-5-3-4-6-22(17)30-14-18;1-2-26-20(25)14-11-23-17-8-7-16(24-19(17)18(14)21)13-9-12-5-3-4-6-15(12)22-10-13;1-2-17-11(16)6-5-14-7-3-4-8(12)15-10(7)9(6)13;1-10(2,7-11)8-3-5-9(12)6-4-8;12-10(13)8-5-7-3-1-2-4-9(7)11-6-8;1-2/h5-17H,4H2,1-3H3,(H,33,34);4-16H,1-3H3;3-15H,1-2H3,(H,33,35);3-15H,1-2H3,(H,31,32)(H,34,35);3-11H,2H2,1H3;3-5H,2H2,1H3;3-6H,12H2,1-2H3;1-6,12-13H;1H3
InChIKeyGNDKTGQRPRJMAN-UHFFFAOYSA-N
XLogP34.05
TPSA622.43 Ų
H-Bond Donors7
H-Bond Acceptors40
Rotatable Bonds24
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002984.16
LogP ≤ 534.05
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-(4-aminophenyl)-2-methylpropanenitrile;4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;iodomethane;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;2-methyl-2-[4-(2-oxo-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;quinolin-3-ylboronic acid 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

Lithium;1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrrolo[2,3-c]pyridine-3-carboxylic acid;methyl 1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrrolo[2,3-c]pyridine-3-carboxylate;hydroxide
CID 157700270
benzyl 4-aminopiperidine-1-carboxylate;benzyl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate;benzyl 4-(2-oxo-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate;ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;3-methyl-1-piperidin-4-yl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one;4-[(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid
CID 158543183
4-aminocyclohexan-1-ol;6-chloro-4-[(4-hydroxycyclohexyl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;8-chloro-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;8-[6-(dimethylamino)-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane
CID 159730189
ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;1-(4-ethylcyclohexyl)-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;methane;4-[[4-(methylamino)cyclohexyl]amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;4-N-methylcyclohexane-1,4-diamine
CID 161004918
CID 161622429
CID 161622429
lithium;dipotassium;8-chloro-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one;6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;hydride;methane;1-methylpiperidin-4-amine;oxido formate;hydroxide
CID 161694976
8-chloro-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one;6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane;1-methylpiperidin-4-amine
CID 162217915

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-2-methylpropanenitrile;4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;iodomethane;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;2-methyl-2-[4-(2-oxo-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;quinolin-3-ylboronic acid?
The IUPAC name of 2-(4-aminophenyl)-2-methylpropanenitrile;4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;iodomethane;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;2-methyl-2-[4-(2-oxo-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;quinolin-3-ylboronic acid (CID 158306522) is 2-(4-aminophenyl)-2-methylpropanenitrile;4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;iodomethane;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;2-methyl-2-[4-(2-oxo-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;quinolin-3-ylboronic acid.
What is the SMILES notation for 2-(4-aminophenyl)-2-methylpropanenitrile;4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;iodomethane;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;2-methyl-2-[4-(2-oxo-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;quinolin-3-ylboronic acid?
The canonical SMILES for 2-(4-aminophenyl)-2-methylpropanenitrile;4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;iodomethane;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;2-methyl-2-[4-(2-oxo-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;quinolin-3-ylboronic acid is CC(C)(C#N)c1ccc(-n2c(=O)[nH]c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)cc1.CC(C)(C#N)c1ccc(N)cc1.CC(C)(C#N)c1ccc(Nc2c(C(=O)O)cnc3ccc(-c4cnc5ccccc5c4)nc23)cc1.CCOC(=O)c1cnc2ccc(-c3cnc4ccccc4c3)nc2c1Cl.CCOC(=O)c1cnc2ccc(-c3cnc4ccccc4c3)nc2c1Nc1ccc(C(C)(C)C#N)cc1.CCOC(=O)c1cnc2ccc(Cl)nc2c1Cl.CI.Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3nc(-c4cnc5ccccc5c4)ccc3ncc21.OB(O)c1cnc2ccccc2c1.
What is the InChIKey of 2-(4-aminophenyl)-2-methylpropanenitrile;4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;iodomethane;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;2-methyl-2-[4-(2-oxo-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;quinolin-3-ylboronic acid?
The InChIKey is GNDKTGQRPRJMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N5O2.C29H22N6O.C28H20N6O.C28H21N5O2.C20H14ClN3O2.C11H8Cl2N2O2.C10H12N2.C9H8BNO2.CH3I/c1-4-37-29(36)23-17-33-26-14-13-25(20-15-19-7-5-6-8-24(19)32-16-20)35-28(26)27(23)34-22-11-9-21(10-12-22)30(2,3)18-31;1-29(2,17-30)20-8-10-21(11-9-20)35-27-25(34(3)28(35)36)16-32-24-13-12-23(33-26(24)27)19-14-18-6-4-5-7-22(18)31-15-19;1-28(2,16-29)19-7-9-20(10-8-19)34-26-24(33-27(34)35)15-31-23-12-11-22(32-25(23)26)18-13-17-5-3-4-6-21(17)30-14-18;1-28(2,16-29)19-7-9-20(10-8-19)32-25-21(27(34)35)15-31-24-12-11-23(33-26(24)25)18-13-17-5-3-4-6-22(17)30-14-18;1-2-26-20(25)14-11-23-17-8-7-16(24-19(17)18(14)21)13-9-12-5-3-4-6-15(12)22-10-13;1-2-17-11(16)6-5-14-7-3-4-8(12)15-10(7)9(6)13;1-10(2,7-11)8-3-5-9(12)6-4-8;12-10(13)8-5-7-3-1-2-4-9(7)11-6-8;1-2/h5-17H,4H2,1-3H3,(H,33,34);4-16H,1-3H3;3-15H,1-2H3,(H,33,35);3-15H,1-2H3,(H,31,32)(H,34,35);3-11H,2H2,1H3;3-5H,2H2,1H3;3-6H,12H2,1-2H3;1-6,12-13H;1H3.
What are the key properties of 2-(4-aminophenyl)-2-methylpropanenitrile;4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;iodomethane;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;2-methyl-2-[4-(2-oxo-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;quinolin-3-ylboronic acid?
2-(4-aminophenyl)-2-methylpropanenitrile;4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;iodomethane;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;2-methyl-2-[4-(2-oxo-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;quinolin-3-ylboronic acid has a molecular weight of 2984.16 g/mol, XLogP of 34.05, 24 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-2-methylpropanenitrile;4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;iodomethane;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;2-methyl-2-[4-(2-oxo-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;quinolin-3-ylboronic acid is sourced from PubChem (CID 158306522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).