(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[(1S)-1-phenylbutyl]prop-2-enamide;(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[(1S)-1-phenylbutyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;(E)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide

C158H162Cl2N22O11 — CID 158267030

IUPAC(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[(1S)-1-phenylbutyl]prop-2-enamide;(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[(1S)-1-phenylbutyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;(E)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide
SMILESCCCC(NC(=O)/C(C#N)=C/c1ccc2cccc(Cl)c2n1)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)/C(C#N)=C/c1ccc2cccc(O)c2n1)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)/C(C#N)=C/c1ccc2ccccc2n1)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)/C(C#N)=C/c1ccc2cccnc2n1)c1ccccc1.CCC[C@H](NC(=O)/C(C#N)=C/c1ccc2cccc(Cl)c2n1)c1ccccc1.CCC[C@H](NC(=O)/C(C#N)=C/c1ccc2cccc(O)c2n1)c1ccccc1
InChIInChI=1S/C30H33ClN4O2.C30H34N4O3.C30H34N4O2.C23H20ClN3O.C23H21N3O2.C22H20N4O/c1-2-7-28(22-11-14-26(15-12-22)37-19-18-35-16-4-3-5-17-35)34-30(36)24(21-32)20-25-13-10-23-8-6-9-27(31)29(23)33-25;1-2-7-27(22-11-14-26(15-12-22)37-19-18-34-16-4-3-5-17-34)33-30(36)24(21-31)20-25-13-10-23-8-6-9-28(35)29(23)32-25;1-2-8-28(24-12-15-27(16-13-24)36-20-19-34-17-6-3-7-18-34)33-30(35)25(22-31)21-26-14-11-23-9-4-5-10-29(23)32-26;1-2-7-21(16-8-4-3-5-9-16)27-23(28)18(15-25)14-19-13-12-17-10-6-11-20(24)22(17)26-19;1-2-7-20(16-8-4-3-5-9-16)26-23(28)18(15-24)14-19-13-12-17-10-6-11-21(27)22(17)25-19;1-2-7-20(16-8-4-3-5-9-16)26-22(27)18(15-23)14-19-12-11-17-10-6-13-24-21(17)25-19/h6,8-15,20,28H,2-5,7,16-19H2,1H3,(H,34,36);6,8-15,20,27,35H,2-5,7,16-19H2,1H3,(H,33,36);4-5,9-16,21,28H,2-3,6-8,17-20H2,1H3,(H,33,35);3-6,8-14,21H,2,7H2,1H3,(H,27,28);3-6,8-14,20,27H,2,7H2,1H3,(H,26,28);3-6,8-14,20H,2,7H2,1H3,(H,26,27)/b2*24-20+;25-21+;3*18-14+/t;;;21-;20-;/m...00./s1
InChIKeyGIOPMJGQLXDQBI-SYMVZTHZSA-N
MW2616.08 g/mol
LogP31.50
Rot. Bonds48

About (E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[(1S)-1-phenylbutyl]prop-2-enamide;(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[(1S)-1-phenylbutyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;(E)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide

(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[(1S)-1-phenylbutyl]prop-2-enamide;(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[(1S)-1-phenylbutyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;(E)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide (PubChem CID 158267030) has the molecular formula C158H162Cl2N22O11 and a molecular weight of 2616.08 g/mol. Its IUPAC name is (E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[(1S)-1-phenylbutyl]prop-2-enamide;(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[(1S)-1-phenylbutyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;(E)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[(1S)-1-phenylbutyl]prop-2-enamide;(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[(1S)-1-phenylbutyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;(E)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide
PubChem CID158267030
Molecular FormulaC158H162Cl2N22O11
Molecular Weight2616.08 g/mol
Exact Mass2613.22
IUPAC Name(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[(1S)-1-phenylbutyl]prop-2-enamide;(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[(1S)-1-phenylbutyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;(E)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide
SMILESCCCC(NC(=O)/C(C#N)=C/c1ccc2cccc(Cl)c2n1)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)/C(C#N)=C/c1ccc2cccc(O)c2n1)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)/C(C#N)=C/c1ccc2ccccc2n1)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)/C(C#N)=C/c1ccc2cccnc2n1)c1ccccc1.CCC[C@H](NC(=O)/C(C#N)=C/c1ccc2cccc(Cl)c2n1)c1ccccc1.CCC[C@H](NC(=O)/C(C#N)=C/c1ccc2cccc(O)c2n1)c1ccccc1
InChIInChI=1S/C30H33ClN4O2.C30H34N4O3.C30H34N4O2.C23H20ClN3O.C23H21N3O2.C22H20N4O/c1-2-7-28(22-11-14-26(15-12-22)37-19-18-35-16-4-3-5-17-35)34-30(36)24(21-32)20-25-13-10-23-8-6-9-27(31)29(23)33-25;1-2-7-27(22-11-14-26(15-12-22)37-19-18-34-16-4-3-5-17-34)33-30(36)24(21-31)20-25-13-10-23-8-6-9-28(35)29(23)32-25;1-2-8-28(24-12-15-27(16-13-24)36-20-19-34-17-6-3-7-18-34)33-30(35)25(22-31)21-26-14-11-23-9-4-5-10-29(23)32-26;1-2-7-21(16-8-4-3-5-9-16)27-23(28)18(15-25)14-19-13-12-17-10-6-11-20(24)22(17)26-19;1-2-7-20(16-8-4-3-5-9-16)26-23(28)18(15-24)14-19-13-12-17-10-6-11-21(27)22(17)25-19;1-2-7-20(16-8-4-3-5-9-16)26-22(27)18(15-23)14-19-12-11-17-10-6-13-24-21(17)25-19/h6,8-15,20,28H,2-5,7,16-19H2,1H3,(H,34,36);6,8-15,20,27,35H,2-5,7,16-19H2,1H3,(H,33,36);4-5,9-16,21,28H,2-3,6-8,17-20H2,1H3,(H,33,35);3-6,8-14,21H,2,7H2,1H3,(H,27,28);3-6,8-14,20,27H,2,7H2,1H3,(H,26,28);3-6,8-14,20H,2,7H2,1H3,(H,26,27)/b2*24-20+;25-21+;3*18-14+/t;;;21-;20-;/m...00./s1
InChIKeyGIOPMJGQLXDQBI-SYMVZTHZSA-N
XLogP31.50
TPSA485.44 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds48
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002616.08
LogP ≤ 531.50
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze (E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[(1S)-1-phenylbutyl]prop-2-enamide;(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[(1S)-1-phenylbutyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;(E)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide 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

4-ethoxy-2-methylquinolin-8-ol;7-hydroxy-1H-quinolin-2-one;7-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one;2-piperidin-1-ylquinolin-8-ol;quinolin-7-ol;2-(trifluoromethyl)quinolin-8-ol
CID 157842983
4-(2-chloroethyl)morpholine;8-chloro-6-hydroxy-1H-quinolin-2-one;2-chloro-4-methoxyaniline;(E)-N-(2-chloro-4-methoxyphenyl)-3-phenylprop-2-enamide;8-chloro-6-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine;2,8-dichloroquinolin-6-ol;4-[2-(2,8-dichloroquinolin-6-yl)oxyethyl]morpholine;(E)-3-phenylprop-2-enoyl chloride;4-(trifluoromethyl)pyridin-2-amine;hydrochloride
CID 159452679
3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butyl]prop-2-enamide;3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[4-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pentyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide
CID 167312562
3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-[2-[2-[2-[2-cyano-3-[1-[4-(2-morpholin-4-ylethoxy)phenyl]butylamino]-3-oxoprop-1-enyl]-8-hydroxyquinolin-6-yl]morpholin-4-yl]ethoxy]phenyl]butyl]prop-2-enamide
CID 123562006
N-benzhydryl-2-cyano-3-[6-[4-[2-[4-[[[2-cyano-3-(3,6-dichloro-2-pyridinyl)prop-2-enoyl]amino]-phenylmethyl]phenoxy]ethyl]morpholin-2-yl]-1,8-naphthyridin-2-yl]prop-2-enamide
CID 123880030
(2E,5Z)-6-[3-chloro-2-(methylideneamino)phenyl]-2-cyano-N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]hexa-2,5-dienamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]prop-2-enamide;ethane
CID 144829149
(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]prop-2-enamide;ethane
CID 144829162
(E)-N-benzhydryl-2-cyano-3-[6-[4-[2-[4-[[[(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)prop-2-enoyl]amino]-phenylmethyl]phenoxy]ethyl]morpholin-2-yl]-1,8-naphthyridin-2-yl]prop-2-enamide
CID 144829165
(E)-N-[1-[4-[2-[2-[8-chloro-2-[(E)-2-cyano-3-oxo-3-[[(1S)-1-phenylbutyl]amino]prop-1-enyl]quinolin-6-yl]morpholin-4-yl]ethoxy]phenyl]butyl]-2-cyano-3-(8-hydroxyquinolin-2-yl)prop-2-enamide
CID 156217090
(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-[2-[2-[2-[(E)-2-cyano-3-[1-[4-(2-morpholin-4-ylethoxy)phenyl]butylamino]-3-oxoprop-1-enyl]-8-hydroxyquinolin-6-yl]morpholin-4-yl]ethoxy]phenyl]butyl]prop-2-enamide
CID 156217536
CID 157250145
CID 157250145
CID 158163195
CID 158163195

Frequently Asked Questions

What is the IUPAC name of (E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[(1S)-1-phenylbutyl]prop-2-enamide;(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[(1S)-1-phenylbutyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;(E)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide?
The IUPAC name of (E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[(1S)-1-phenylbutyl]prop-2-enamide;(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[(1S)-1-phenylbutyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;(E)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide (CID 158267030) is (E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[(1S)-1-phenylbutyl]prop-2-enamide;(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[(1S)-1-phenylbutyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;(E)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[(1S)-1-phenylbutyl]prop-2-enamide;(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[(1S)-1-phenylbutyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;(E)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide?
The canonical SMILES for (E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[(1S)-1-phenylbutyl]prop-2-enamide;(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[(1S)-1-phenylbutyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;(E)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide is CCCC(NC(=O)/C(C#N)=C/c1ccc2cccc(Cl)c2n1)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)/C(C#N)=C/c1ccc2cccc(O)c2n1)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)/C(C#N)=C/c1ccc2ccccc2n1)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)/C(C#N)=C/c1ccc2cccnc2n1)c1ccccc1.CCC[C@H](NC(=O)/C(C#N)=C/c1ccc2cccc(Cl)c2n1)c1ccccc1.CCC[C@H](NC(=O)/C(C#N)=C/c1ccc2cccc(O)c2n1)c1ccccc1.
What is the InChIKey of (E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[(1S)-1-phenylbutyl]prop-2-enamide;(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[(1S)-1-phenylbutyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;(E)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide?
The InChIKey is GIOPMJGQLXDQBI-SYMVZTHZSA-N. The full InChI is InChI=1S/C30H33ClN4O2.C30H34N4O3.C30H34N4O2.C23H20ClN3O.C23H21N3O2.C22H20N4O/c1-2-7-28(22-11-14-26(15-12-22)37-19-18-35-16-4-3-5-17-35)34-30(36)24(21-32)20-25-13-10-23-8-6-9-27(31)29(23)33-25;1-2-7-27(22-11-14-26(15-12-22)37-19-18-34-16-4-3-5-17-34)33-30(36)24(21-31)20-25-13-10-23-8-6-9-28(35)29(23)32-25;1-2-8-28(24-12-15-27(16-13-24)36-20-19-34-17-6-3-7-18-34)33-30(35)25(22-31)21-26-14-11-23-9-4-5-10-29(23)32-26;1-2-7-21(16-8-4-3-5-9-16)27-23(28)18(15-25)14-19-13-12-17-10-6-11-20(24)22(17)26-19;1-2-7-20(16-8-4-3-5-9-16)26-23(28)18(15-24)14-19-13-12-17-10-6-11-21(27)22(17)25-19;1-2-7-20(16-8-4-3-5-9-16)26-22(27)18(15-23)14-19-12-11-17-10-6-13-24-21(17)25-19/h6,8-15,20,28H,2-5,7,16-19H2,1H3,(H,34,36);6,8-15,20,27,35H,2-5,7,16-19H2,1H3,(H,33,36);4-5,9-16,21,28H,2-3,6-8,17-20H2,1H3,(H,33,35);3-6,8-14,21H,2,7H2,1H3,(H,27,28);3-6,8-14,20,27H,2,7H2,1H3,(H,26,28);3-6,8-14,20H,2,7H2,1H3,(H,26,27)/b2*24-20+;25-21+;3*18-14+/t;;;21-;20-;/m...00./s1.
What are the key properties of (E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[(1S)-1-phenylbutyl]prop-2-enamide;(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[(1S)-1-phenylbutyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;(E)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide?
(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[(1S)-1-phenylbutyl]prop-2-enamide;(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[(1S)-1-phenylbutyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;(E)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide has a molecular weight of 2616.08 g/mol, XLogP of 31.50, 48 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[(1S)-1-phenylbutyl]prop-2-enamide;(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[(1S)-1-phenylbutyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;(E)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide is sourced from PubChem (CID 158267030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).