5-amino-N-(3-methylbut-2-enyl)-2-pyridin-3-ylquinoline-6-carboxamide;benzene;5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(1E)-1-(methylideneamino)buta-1,3-dien-2-yl]quinoline-6-carboxylic acid;tert-butyl N-(6-formyl-2-pyridin-3-ylquinolin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[3-methylbut-2-enyl(phenyl)carbamoyl]-2-pyridin-3-ylquinolin-5-yl]carbamate;dichloromethane;N-(3-methylbut-2-enyl)aniline;5-methyl-N-(3-methylbut-2-enyl)-N-phenyl-2-pyridin-3-ylquinoline-6-carboxamide

C146H156Cl2N18O16 — CID 158693854

IUPAC5-amino-N-(3-methylbut-2-enyl)-2-pyridin-3-ylquinoline-6-carboxamide;benzene;5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(1E)-1-(methylideneamino)buta-1,3-dien-2-yl]quinoline-6-carboxylic acid;tert-butyl N-(6-formyl-2-pyridin-3-ylquinolin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[3-methylbut-2-enyl(phenyl)carbamoyl]-2-pyridin-3-ylquinolin-5-yl]carbamate;dichloromethane;N-(3-methylbut-2-enyl)aniline;5-methyl-N-(3-methylbut-2-enyl)-N-phenyl-2-pyridin-3-ylquinoline-6-carboxamide
SMILESC=C/C(=C\N=C)c1ccc2c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(C(=O)O)ccc2n1.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1c(C=O)ccc2nc(-c3cccnc3)ccc12.CC(C)=CCN(C(=O)c1ccc2nc(-c3cccnc3)ccc2c1C)c1ccccc1.CC(C)=CCN(C(=O)c1ccc2nc(-c3cccnc3)ccc2c1NC(=O)OC(C)(C)C)c1ccccc1.CC(C)=CCNC(=O)c1ccc2nc(-c3cccnc3)ccc2c1N.CC(C)=CCNc1ccccc1.ClCCl.c1ccccc1
InChIInChI=1S/C31H32N4O3.C27H25N3O.C25H29N3O6.C25H27N3O5.C20H20N4O.C11H15N.C6H6.CH2Cl2/c1-21(2)17-19-35(23-11-7-6-8-12-23)29(36)25-14-16-27-24(28(25)34-30(37)38-31(3,4)5)13-15-26(33-27)22-10-9-18-32-20-22;1-19(2)15-17-30(22-9-5-4-6-10-22)27(31)24-12-14-26-23(20(24)3)11-13-25(29-26)21-8-7-16-28-18-21;1-9-15(14-26-8)18-12-10-16-19(27-18)13-11-17(21(29)30)20(16)28(22(31)33-24(2,3)4)23(32)34-25(5,6)7;1-24(2,3)32-22(30)28(23(31)33-25(4,5)6)21-17(15-29)9-11-20-18(21)10-12-19(27-20)16-8-7-13-26-14-16;1-13(2)9-11-23-20(25)16-6-8-18-15(19(16)21)5-7-17(24-18)14-4-3-10-22-12-14;1-10(2)8-9-12-11-6-4-3-5-7-11;1-2-4-6-5-3-1;2-1-3/h6-18,20H,19H2,1-5H3,(H,34,37);4-16,18H,17H2,1-3H3;9-14H,1,8H2,2-7H3,(H,29,30);7-15H,1-6H3;3-10,12H,11,21H2,1-2H3,(H,23,25);3-8,12H,9H2,1-2H3;1-6H;1H2/b;;15-14+;;;;;
InChIKeyIGRNNQQVZIMSPL-SNQJIALJSA-N
MW2489.87 g/mol
LogP34.85
Rot. Bonds26

About 5-amino-N-(3-methylbut-2-enyl)-2-pyridin-3-ylquinoline-6-carboxamide;benzene;5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(1E)-1-(methylideneamino)buta-1,3-dien-2-yl]quinoline-6-carboxylic acid;tert-butyl N-(6-formyl-2-pyridin-3-ylquinolin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[3-methylbut-2-enyl(phenyl)carbamoyl]-2-pyridin-3-ylquinolin-5-yl]carbamate;dichloromethane;N-(3-methylbut-2-enyl)aniline;5-methyl-N-(3-methylbut-2-enyl)-N-phenyl-2-pyridin-3-ylquinoline-6-carboxamide

5-amino-N-(3-methylbut-2-enyl)-2-pyridin-3-ylquinoline-6-carboxamide;benzene;5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(1E)-1-(methylideneamino)buta-1,3-dien-2-yl]quinoline-6-carboxylic acid;tert-butyl N-(6-formyl-2-pyridin-3-ylquinolin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[3-methylbut-2-enyl(phenyl)carbamoyl]-2-pyridin-3-ylquinolin-5-yl]carbamate;dichloromethane;N-(3-methylbut-2-enyl)aniline;5-methyl-N-(3-methylbut-2-enyl)-N-phenyl-2-pyridin-3-ylquinoline-6-carboxamide (PubChem CID 158693854) has the molecular formula C146H156Cl2N18O16 and a molecular weight of 2489.87 g/mol. Its IUPAC name is 5-amino-N-(3-methylbut-2-enyl)-2-pyridin-3-ylquinoline-6-carboxamide;benzene;5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(1E)-1-(methylideneamino)buta-1,3-dien-2-yl]quinoline-6-carboxylic acid;tert-butyl N-(6-formyl-2-pyridin-3-ylquinolin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[3-methylbut-2-enyl(phenyl)carbamoyl]-2-pyridin-3-ylquinolin-5-yl]carbamate;dichloromethane;N-(3-methylbut-2-enyl)aniline;5-methyl-N-(3-methylbut-2-enyl)-N-phenyl-2-pyridin-3-ylquinoline-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-methylbut-2-enyl)-2-pyridin-3-ylquinoline-6-carboxamide;benzene;5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(1E)-1-(methylideneamino)buta-1,3-dien-2-yl]quinoline-6-carboxylic acid;tert-butyl N-(6-formyl-2-pyridin-3-ylquinolin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[3-methylbut-2-enyl(phenyl)carbamoyl]-2-pyridin-3-ylquinolin-5-yl]carbamate;dichloromethane;N-(3-methylbut-2-enyl)aniline;5-methyl-N-(3-methylbut-2-enyl)-N-phenyl-2-pyridin-3-ylquinoline-6-carboxamide
PubChem CID158693854
Molecular FormulaC146H156Cl2N18O16
Molecular Weight2489.87 g/mol
Exact Mass2487.13
IUPAC Name5-amino-N-(3-methylbut-2-enyl)-2-pyridin-3-ylquinoline-6-carboxamide;benzene;5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(1E)-1-(methylideneamino)buta-1,3-dien-2-yl]quinoline-6-carboxylic acid;tert-butyl N-(6-formyl-2-pyridin-3-ylquinolin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[3-methylbut-2-enyl(phenyl)carbamoyl]-2-pyridin-3-ylquinolin-5-yl]carbamate;dichloromethane;N-(3-methylbut-2-enyl)aniline;5-methyl-N-(3-methylbut-2-enyl)-N-phenyl-2-pyridin-3-ylquinoline-6-carboxamide
SMILESC=C/C(=C\N=C)c1ccc2c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(C(=O)O)ccc2n1.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1c(C=O)ccc2nc(-c3cccnc3)ccc12.CC(C)=CCN(C(=O)c1ccc2nc(-c3cccnc3)ccc2c1C)c1ccccc1.CC(C)=CCN(C(=O)c1ccc2nc(-c3cccnc3)ccc2c1NC(=O)OC(C)(C)C)c1ccccc1.CC(C)=CCNC(=O)c1ccc2nc(-c3cccnc3)ccc2c1N.CC(C)=CCNc1ccccc1.ClCCl.c1ccccc1
InChIInChI=1S/C31H32N4O3.C27H25N3O.C25H29N3O6.C25H27N3O5.C20H20N4O.C11H15N.C6H6.CH2Cl2/c1-21(2)17-19-35(23-11-7-6-8-12-23)29(36)25-14-16-27-24(28(25)34-30(37)38-31(3,4)5)13-15-26(33-27)22-10-9-18-32-20-22;1-19(2)15-17-30(22-9-5-4-6-10-22)27(31)24-12-14-26-23(20(24)3)11-13-25(29-26)21-8-7-16-28-18-21;1-9-15(14-26-8)18-12-10-16-19(27-18)13-11-17(21(29)30)20(16)28(22(31)33-24(2,3)4)23(32)34-25(5,6)7;1-24(2,3)32-22(30)28(23(31)33-25(4,5)6)21-17(15-29)9-11-20-18(21)10-12-19(27-20)16-8-7-13-26-14-16;1-13(2)9-11-23-20(25)16-6-8-18-15(19(16)21)5-7-17(24-18)14-4-3-10-22-12-14;1-10(2)8-9-12-11-6-4-3-5-7-11;1-2-4-6-5-3-1;2-1-3/h6-18,20H,19H2,1-5H3,(H,34,37);4-16,18H,17H2,1-3H3;9-14H,1,8H2,2-7H3,(H,29,30);7-15H,1-6H3;3-10,12H,11,21H2,1-2H3,(H,23,25);3-8,12H,9H2,1-2H3;1-6H;1H2/b;;15-14+;;;;;
InChIKeyIGRNNQQVZIMSPL-SNQJIALJSA-N
XLogP34.85
TPSA440.52 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds26
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002489.87
LogP ≤ 534.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

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'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-amino-N-(3-methylbut-2-enyl)-2-pyridin-3-ylquinoline-6-carboxamide;benzene;5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(1E)-1-(methylideneamino)buta-1,3-dien-2-yl]quinoline-6-carboxylic acid;tert-butyl N-(6-formyl-2-pyridin-3-ylquinolin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[3-methylbut-2-enyl(phenyl)carbamoyl]-2-pyridin-3-ylquinolin-5-yl]carbamate;dichloromethane;N-(3-methylbut-2-enyl)aniline;5-methyl-N-(3-methylbut-2-enyl)-N-phenyl-2-pyridin-3-ylquinoline-6-carboxamide 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

Tert-butyl 4-(5-methoxy-5-oxo-3-quinolin-3-ylpentyl)piperidine-1-carboxylate;dichloromethane;methyl 5-piperidin-4-yl-3-quinolin-3-ylpentanoate;methyl 3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoate;3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoic acid;3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoic acid;2,2,2-trifluoroacetaldehyde
CID 158076676
dichloromethane;2-[(1S)-1-phenylethyl]pyridine;N-[phenyl(pyridin-2-yl)methyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide;7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid
CID 159330572
Ethyl 4-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)anilino]-6-quinolin-3-ylquinoline-3-carboxylate;4-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)anilino]-6-quinolin-3-ylquinoline-3-carboxylic acid;1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-[1,3]oxazino[5,4-c]quinoline-2,4-dione
CID 159770956
dichloromethane;methane;2-[(1S)-1-phenylethyl]pyridine;N-[phenyl(pyridin-2-yl)methyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide;7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid
CID 161039889
6-N-(4-aminobutyl)-4-anilinoquinoline-3,6-dicarboxamide;4-anilino-3-carbamoylquinoline-6-carboxylic acid;4-anilino-6-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxoheptyl]quinoline-3,6-dicarboxamide;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(4-anilino-3-carbamoylquinoline-6-carbonyl)amino]butyl]carbamate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;2,2,2-trifluoroacetaldehyde
CID 161278318
sodium;N-(3-formylquinolin-7-yl)-2-[4-(trifluoromethyl)phenyl]benzamide;7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid;chlorite
CID 161521713
dichloromethane;(S)-phenyl(pyridin-2-yl)methanamine;N-[(S)-phenyl(pyridin-2-yl)methyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide;7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid;hydrochloride
CID 161883778
N-propyl-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide;7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid
CID 157957864
sodium;2-(2-amino-5-fluorophenyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;tert-butyl N-(2-amino-4-fluorophenyl)carbamate;tert-butyl 4-[3-[2-[5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]quinolin-7-yl]piperazine-1-carboxylate;ethyl 7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate;7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;hydroxide
CID 157146666
Tert-butyl 4-(5-methoxy-5-oxo-3-quinolin-3-ylpentyl)piperidine-1-carboxylate;dichloromethane;methyl 5-piperidin-4-yl-3-quinolin-3-ylpentanoate;methyl 3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoate;3-quinolin-3-yl-5-[1-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]piperidin-4-yl]pentanoic acid;3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoic acid
CID 157293123
4-anilino-6-N-[2-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoyl]piperazin-1-yl]-2-oxoethyl]-3-N-methylquinoline-3,6-dicarboxamide;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 2-aminoacetate;tert-butyl 2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetate;tert-butyl 4-[2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane
CID 157342860
Isoquinolin-2-ium;1-methylpiperidin-1-ium;methyl pyridin-1-ium-3-carboxylate;methyl quinolin-1-ium-3-carboxylate;pyridine-3-carboxylic acid;pyridin-1-ium;quinoline-3-carboxylic acid;quinolin-1-ium;triethylazanium;trimethylazanium
CID 157389174

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-methylbut-2-enyl)-2-pyridin-3-ylquinoline-6-carboxamide;benzene;5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(1E)-1-(methylideneamino)buta-1,3-dien-2-yl]quinoline-6-carboxylic acid;tert-butyl N-(6-formyl-2-pyridin-3-ylquinolin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[3-methylbut-2-enyl(phenyl)carbamoyl]-2-pyridin-3-ylquinolin-5-yl]carbamate;dichloromethane;N-(3-methylbut-2-enyl)aniline;5-methyl-N-(3-methylbut-2-enyl)-N-phenyl-2-pyridin-3-ylquinoline-6-carboxamide?
The IUPAC name of 5-amino-N-(3-methylbut-2-enyl)-2-pyridin-3-ylquinoline-6-carboxamide;benzene;5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(1E)-1-(methylideneamino)buta-1,3-dien-2-yl]quinoline-6-carboxylic acid;tert-butyl N-(6-formyl-2-pyridin-3-ylquinolin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[3-methylbut-2-enyl(phenyl)carbamoyl]-2-pyridin-3-ylquinolin-5-yl]carbamate;dichloromethane;N-(3-methylbut-2-enyl)aniline;5-methyl-N-(3-methylbut-2-enyl)-N-phenyl-2-pyridin-3-ylquinoline-6-carboxamide (CID 158693854) is 5-amino-N-(3-methylbut-2-enyl)-2-pyridin-3-ylquinoline-6-carboxamide;benzene;5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(1E)-1-(methylideneamino)buta-1,3-dien-2-yl]quinoline-6-carboxylic acid;tert-butyl N-(6-formyl-2-pyridin-3-ylquinolin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[3-methylbut-2-enyl(phenyl)carbamoyl]-2-pyridin-3-ylquinolin-5-yl]carbamate;dichloromethane;N-(3-methylbut-2-enyl)aniline;5-methyl-N-(3-methylbut-2-enyl)-N-phenyl-2-pyridin-3-ylquinoline-6-carboxamide.
What is the SMILES notation for 5-amino-N-(3-methylbut-2-enyl)-2-pyridin-3-ylquinoline-6-carboxamide;benzene;5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(1E)-1-(methylideneamino)buta-1,3-dien-2-yl]quinoline-6-carboxylic acid;tert-butyl N-(6-formyl-2-pyridin-3-ylquinolin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[3-methylbut-2-enyl(phenyl)carbamoyl]-2-pyridin-3-ylquinolin-5-yl]carbamate;dichloromethane;N-(3-methylbut-2-enyl)aniline;5-methyl-N-(3-methylbut-2-enyl)-N-phenyl-2-pyridin-3-ylquinoline-6-carboxamide?
The canonical SMILES for 5-amino-N-(3-methylbut-2-enyl)-2-pyridin-3-ylquinoline-6-carboxamide;benzene;5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(1E)-1-(methylideneamino)buta-1,3-dien-2-yl]quinoline-6-carboxylic acid;tert-butyl N-(6-formyl-2-pyridin-3-ylquinolin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[3-methylbut-2-enyl(phenyl)carbamoyl]-2-pyridin-3-ylquinolin-5-yl]carbamate;dichloromethane;N-(3-methylbut-2-enyl)aniline;5-methyl-N-(3-methylbut-2-enyl)-N-phenyl-2-pyridin-3-ylquinoline-6-carboxamide is C=C/C(=C\N=C)c1ccc2c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(C(=O)O)ccc2n1.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1c(C=O)ccc2nc(-c3cccnc3)ccc12.CC(C)=CCN(C(=O)c1ccc2nc(-c3cccnc3)ccc2c1C)c1ccccc1.CC(C)=CCN(C(=O)c1ccc2nc(-c3cccnc3)ccc2c1NC(=O)OC(C)(C)C)c1ccccc1.CC(C)=CCNC(=O)c1ccc2nc(-c3cccnc3)ccc2c1N.CC(C)=CCNc1ccccc1.ClCCl.c1ccccc1.
What is the InChIKey of 5-amino-N-(3-methylbut-2-enyl)-2-pyridin-3-ylquinoline-6-carboxamide;benzene;5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(1E)-1-(methylideneamino)buta-1,3-dien-2-yl]quinoline-6-carboxylic acid;tert-butyl N-(6-formyl-2-pyridin-3-ylquinolin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[3-methylbut-2-enyl(phenyl)carbamoyl]-2-pyridin-3-ylquinolin-5-yl]carbamate;dichloromethane;N-(3-methylbut-2-enyl)aniline;5-methyl-N-(3-methylbut-2-enyl)-N-phenyl-2-pyridin-3-ylquinoline-6-carboxamide?
The InChIKey is IGRNNQQVZIMSPL-SNQJIALJSA-N. The full InChI is InChI=1S/C31H32N4O3.C27H25N3O.C25H29N3O6.C25H27N3O5.C20H20N4O.C11H15N.C6H6.CH2Cl2/c1-21(2)17-19-35(23-11-7-6-8-12-23)29(36)25-14-16-27-24(28(25)34-30(37)38-31(3,4)5)13-15-26(33-27)22-10-9-18-32-20-22;1-19(2)15-17-30(22-9-5-4-6-10-22)27(31)24-12-14-26-23(20(24)3)11-13-25(29-26)21-8-7-16-28-18-21;1-9-15(14-26-8)18-12-10-16-19(27-18)13-11-17(21(29)30)20(16)28(22(31)33-24(2,3)4)23(32)34-25(5,6)7;1-24(2,3)32-22(30)28(23(31)33-25(4,5)6)21-17(15-29)9-11-20-18(21)10-12-19(27-20)16-8-7-13-26-14-16;1-13(2)9-11-23-20(25)16-6-8-18-15(19(16)21)5-7-17(24-18)14-4-3-10-22-12-14;1-10(2)8-9-12-11-6-4-3-5-7-11;1-2-4-6-5-3-1;2-1-3/h6-18,20H,19H2,1-5H3,(H,34,37);4-16,18H,17H2,1-3H3;9-14H,1,8H2,2-7H3,(H,29,30);7-15H,1-6H3;3-10,12H,11,21H2,1-2H3,(H,23,25);3-8,12H,9H2,1-2H3;1-6H;1H2/b;;15-14+;;;;;.
What are the key properties of 5-amino-N-(3-methylbut-2-enyl)-2-pyridin-3-ylquinoline-6-carboxamide;benzene;5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(1E)-1-(methylideneamino)buta-1,3-dien-2-yl]quinoline-6-carboxylic acid;tert-butyl N-(6-formyl-2-pyridin-3-ylquinolin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[3-methylbut-2-enyl(phenyl)carbamoyl]-2-pyridin-3-ylquinolin-5-yl]carbamate;dichloromethane;N-(3-methylbut-2-enyl)aniline;5-methyl-N-(3-methylbut-2-enyl)-N-phenyl-2-pyridin-3-ylquinoline-6-carboxamide?
5-amino-N-(3-methylbut-2-enyl)-2-pyridin-3-ylquinoline-6-carboxamide;benzene;5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(1E)-1-(methylideneamino)buta-1,3-dien-2-yl]quinoline-6-carboxylic acid;tert-butyl N-(6-formyl-2-pyridin-3-ylquinolin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[3-methylbut-2-enyl(phenyl)carbamoyl]-2-pyridin-3-ylquinolin-5-yl]carbamate;dichloromethane;N-(3-methylbut-2-enyl)aniline;5-methyl-N-(3-methylbut-2-enyl)-N-phenyl-2-pyridin-3-ylquinoline-6-carboxamide has a molecular weight of 2489.87 g/mol, XLogP of 34.85, 26 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-methylbut-2-enyl)-2-pyridin-3-ylquinoline-6-carboxamide;benzene;5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(1E)-1-(methylideneamino)buta-1,3-dien-2-yl]quinoline-6-carboxylic acid;tert-butyl N-(6-formyl-2-pyridin-3-ylquinolin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[3-methylbut-2-enyl(phenyl)carbamoyl]-2-pyridin-3-ylquinolin-5-yl]carbamate;dichloromethane;N-(3-methylbut-2-enyl)aniline;5-methyl-N-(3-methylbut-2-enyl)-N-phenyl-2-pyridin-3-ylquinoline-6-carboxamide is sourced from PubChem (CID 158693854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).