1-benzothiophene;2-chlorofuran;N-[(5-chlorofuran-3-yl)methyl]ethanamine;ethane;pentakis(N-ethylacetamide);N-ethyl-1-benzothiophene-3-carboxamide;N-ethylethanamine;N-ethyl-1H-indole-3-carboxamide;N-ethylpyridine-4-carboxamide;N-ethyl-1H-pyrrole-3-carboxamide;N-ethylquinoline-4-carboxamide;1H-indole;1-methyl-4-prop-1-enylbenzene;bis(prop-1-enylbenzene);pyridine;N-(pyridin-4-ylmethyl)ethanamine;1H-pyrrole;N-(1H-pyrrol-3-ylmethyl)ethanamine;quinoline

C163H216Cl2N24O12S2 — CID 159358784

IUPAC1-benzothiophene;2-chlorofuran;N-[(5-chlorofuran-3-yl)methyl]ethanamine;ethane;pentakis(N-ethylacetamide);N-ethyl-1-benzothiophene-3-carboxamide;N-ethylethanamine;N-ethyl-1H-indole-3-carboxamide;N-ethylpyridine-4-carboxamide;N-ethyl-1H-pyrrole-3-carboxamide;N-ethylquinoline-4-carboxamide;1H-indole;1-methyl-4-prop-1-enylbenzene;bis(prop-1-enylbenzene);pyridine;N-(pyridin-4-ylmethyl)ethanamine;1H-pyrrole;N-(1H-pyrrol-3-ylmethyl)ethanamine;quinoline
SMILESCC.CC=Cc1ccc(C)cc1.CC=Cc1ccccc1.CC=Cc1ccccc1.CCNC(=O)c1c[nH]c2ccccc12.CCNC(=O)c1cc[nH]c1.CCNC(=O)c1ccnc2ccccc12.CCNC(=O)c1ccncc1.CCNC(=O)c1csc2ccccc12.CCNC(C)=O.CCNC(C)=O.CCNC(C)=O.CCNC(C)=O.CCNC(C)=O.CCNCC.CCNCc1cc[nH]c1.CCNCc1ccncc1.CCNCc1coc(Cl)c1.Clc1ccco1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2ncccc2c1.c1ccc2sccc2c1.c1ccncc1
InChIInChI=1S/C12H12N2O.C11H12N2O.C11H11NOS.C10H12.C9H7N.2C9H10.C8H10N2O.C8H12N2.C8H7N.C8H6S.C7H10ClNO.C7H10N2O.C7H12N2.C5H5N.C4H3ClO.5C4H9NO.C4H5N.C4H11N.C2H6/c1-2-13-12(15)10-7-8-14-11-6-4-3-5-9(10)11;1-2-12-11(14)9-7-13-10-6-4-3-5-8(9)10;1-2-12-11(13)9-7-14-10-6-4-3-5-8(9)10;1-3-4-10-7-5-9(2)6-8-10;1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-6-9-7-4-3-5-8-9;1-2-10-8(11)7-3-5-9-6-4-7;1-2-9-7-8-3-5-10-6-4-8;2*1-2-4-8-7(3-1)5-6-9-8;1-2-9-4-6-3-7(8)10-5-6;1-2-9-7(10)6-3-4-8-5-6;1-2-8-5-7-3-4-9-6-7;1-2-4-6-5-3-1;5-4-2-1-3-6-4;5*1-3-5-4(2)6;1-2-4-5-3-1;1-3-5-4-2;1-2/h3-8H,2H2,1H3,(H,13,15);3-7,13H,2H2,1H3,(H,12,14);3-7H,2H2,1H3,(H,12,13);3-8H,1-2H3;1-7H;2*2-8H,1H3;3-6H,2H2,1H3,(H,10,11);3-6,9H,2,7H2,1H3;1-6,9H;1-6H;3,5,9H,2,4H2,1H3;3-5,8H,2H2,1H3,(H,9,10);3-4,6,8-9H,2,5H2,1H3;1-5H;1-3H;5*3H2,1-2H3,(H,5,6);1-5H;5H,3-4H2,1-2H3;1-2H3
InChIKeyLIGMGIMUHLKEDY-UHFFFAOYSA-N
MW2838.72 g/mol
LogP34.66
Rot. Bonds29

About 1-benzothiophene;2-chlorofuran;N-[(5-chlorofuran-3-yl)methyl]ethanamine;ethane;pentakis(N-ethylacetamide);N-ethyl-1-benzothiophene-3-carboxamide;N-ethylethanamine;N-ethyl-1H-indole-3-carboxamide;N-ethylpyridine-4-carboxamide;N-ethyl-1H-pyrrole-3-carboxamide;N-ethylquinoline-4-carboxamide;1H-indole;1-methyl-4-prop-1-enylbenzene;bis(prop-1-enylbenzene);pyridine;N-(pyridin-4-ylmethyl)ethanamine;1H-pyrrole;N-(1H-pyrrol-3-ylmethyl)ethanamine;quinoline

1-benzothiophene;2-chlorofuran;N-[(5-chlorofuran-3-yl)methyl]ethanamine;ethane;pentakis(N-ethylacetamide);N-ethyl-1-benzothiophene-3-carboxamide;N-ethylethanamine;N-ethyl-1H-indole-3-carboxamide;N-ethylpyridine-4-carboxamide;N-ethyl-1H-pyrrole-3-carboxamide;N-ethylquinoline-4-carboxamide;1H-indole;1-methyl-4-prop-1-enylbenzene;bis(prop-1-enylbenzene);pyridine;N-(pyridin-4-ylmethyl)ethanamine;1H-pyrrole;N-(1H-pyrrol-3-ylmethyl)ethanamine;quinoline (PubChem CID 159358784) has the molecular formula C163H216Cl2N24O12S2 and a molecular weight of 2838.72 g/mol. Its IUPAC name is 1-benzothiophene;2-chlorofuran;N-[(5-chlorofuran-3-yl)methyl]ethanamine;ethane;pentakis(N-ethylacetamide);N-ethyl-1-benzothiophene-3-carboxamide;N-ethylethanamine;N-ethyl-1H-indole-3-carboxamide;N-ethylpyridine-4-carboxamide;N-ethyl-1H-pyrrole-3-carboxamide;N-ethylquinoline-4-carboxamide;1H-indole;1-methyl-4-prop-1-enylbenzene;bis(prop-1-enylbenzene);pyridine;N-(pyridin-4-ylmethyl)ethanamine;1H-pyrrole;N-(1H-pyrrol-3-ylmethyl)ethanamine;quinoline.

Molecular Properties

Compound Name1-benzothiophene;2-chlorofuran;N-[(5-chlorofuran-3-yl)methyl]ethanamine;ethane;pentakis(N-ethylacetamide);N-ethyl-1-benzothiophene-3-carboxamide;N-ethylethanamine;N-ethyl-1H-indole-3-carboxamide;N-ethylpyridine-4-carboxamide;N-ethyl-1H-pyrrole-3-carboxamide;N-ethylquinoline-4-carboxamide;1H-indole;1-methyl-4-prop-1-enylbenzene;bis(prop-1-enylbenzene);pyridine;N-(pyridin-4-ylmethyl)ethanamine;1H-pyrrole;N-(1H-pyrrol-3-ylmethyl)ethanamine;quinoline
PubChem CID159358784
Molecular FormulaC163H216Cl2N24O12S2
Molecular Weight2838.72 g/mol
Exact Mass2835.58
IUPAC Name1-benzothiophene;2-chlorofuran;N-[(5-chlorofuran-3-yl)methyl]ethanamine;ethane;pentakis(N-ethylacetamide);N-ethyl-1-benzothiophene-3-carboxamide;N-ethylethanamine;N-ethyl-1H-indole-3-carboxamide;N-ethylpyridine-4-carboxamide;N-ethyl-1H-pyrrole-3-carboxamide;N-ethylquinoline-4-carboxamide;1H-indole;1-methyl-4-prop-1-enylbenzene;bis(prop-1-enylbenzene);pyridine;N-(pyridin-4-ylmethyl)ethanamine;1H-pyrrole;N-(1H-pyrrol-3-ylmethyl)ethanamine;quinoline
SMILESCC.CC=Cc1ccc(C)cc1.CC=Cc1ccccc1.CC=Cc1ccccc1.CCNC(=O)c1c[nH]c2ccccc12.CCNC(=O)c1cc[nH]c1.CCNC(=O)c1ccnc2ccccc12.CCNC(=O)c1ccncc1.CCNC(=O)c1csc2ccccc12.CCNC(C)=O.CCNC(C)=O.CCNC(C)=O.CCNC(C)=O.CCNC(C)=O.CCNCC.CCNCc1cc[nH]c1.CCNCc1ccncc1.CCNCc1coc(Cl)c1.Clc1ccco1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2ncccc2c1.c1ccc2sccc2c1.c1ccncc1
InChIInChI=1S/C12H12N2O.C11H12N2O.C11H11NOS.C10H12.C9H7N.2C9H10.C8H10N2O.C8H12N2.C8H7N.C8H6S.C7H10ClNO.C7H10N2O.C7H12N2.C5H5N.C4H3ClO.5C4H9NO.C4H5N.C4H11N.C2H6/c1-2-13-12(15)10-7-8-14-11-6-4-3-5-9(10)11;1-2-12-11(14)9-7-13-10-6-4-3-5-8(9)10;1-2-12-11(13)9-7-14-10-6-4-3-5-8(9)10;1-3-4-10-7-5-9(2)6-8-10;1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-6-9-7-4-3-5-8-9;1-2-10-8(11)7-3-5-9-6-4-7;1-2-9-7-8-3-5-10-6-4-8;2*1-2-4-8-7(3-1)5-6-9-8;1-2-9-4-6-3-7(8)10-5-6;1-2-9-7(10)6-3-4-8-5-6;1-2-8-5-7-3-4-9-6-7;1-2-4-6-5-3-1;5-4-2-1-3-6-4;5*1-3-5-4(2)6;1-2-4-5-3-1;1-3-5-4-2;1-2/h3-8H,2H2,1H3,(H,13,15);3-7,13H,2H2,1H3,(H,12,14);3-7H,2H2,1H3,(H,12,13);3-8H,1-2H3;1-7H;2*2-8H,1H3;3-6H,2H2,1H3,(H,10,11);3-6,9H,2,7H2,1H3;1-6,9H;1-6H;3,5,9H,2,4H2,1H3;3-5,8H,2H2,1H3,(H,9,10);3-4,6,8-9H,2,5H2,1H3;1-5H;1-3H;5*3H2,1-2H3,(H,5,6);1-5H;5H,3-4H2,1-2H3;1-2H3
InChIKeyLIGMGIMUHLKEDY-UHFFFAOYSA-N
XLogP34.66
TPSA508.80 Ų
H-Bond Donors19
H-Bond Acceptors23
Rotatable Bonds29
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002838.72
LogP ≤ 534.66
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1023

Analyze 1-benzothiophene;2-chlorofuran;N-[(5-chlorofuran-3-yl)methyl]ethanamine;ethane;pentakis(N-ethylacetamide);N-ethyl-1-benzothiophene-3-carboxamide;N-ethylethanamine;N-ethyl-1H-indole-3-carboxamide;N-ethylpyridine-4-carboxamide;N-ethyl-1H-pyrrole-3-carboxamide;N-ethylquinoline-4-carboxamide;1H-indole;1-methyl-4-prop-1-enylbenzene;bis(prop-1-enylbenzene);pyridine;N-(pyridin-4-ylmethyl)ethanamine;1H-pyrrole;N-(1H-pyrrol-3-ylmethyl)ethanamine;quinoline with MolForge

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Related Compounds

bis(9-(2-chlorophenyl)-9-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethylnonan-2-one);bis(9-(2-chlorophenyl)-9-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethylnonan-2-one);8-(2-chlorophenyl)-3,3-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octan-2-one
CID 157211340
2-chloro-N-ethylquinoline-4-carboxamide;2-chlorofuran;N-[(5-chlorofuran-3-yl)methyl]ethanamine;tris(N-ethylacetamide);tris(N-ethylethanamine);N-ethyl-1H-indole-3-carboxamide;N-ethylpyridine-4-carboxamide;N-ethyl-1H-pyrrole-3-carboxamide;N-(furan-2-ylmethyl)ethanamine;1H-indole;bis(pyridine);N-(pyridin-4-ylmethyl)ethanamine;bis(1H-pyrrole);N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 157598709
4-(1-benzofuran-2-yl)-2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzofuran-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;4-(1-benzothiophen-2-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1H-indole
CID 158348134
1-benzothiophene;N-[(5-chlorofuran-3-yl)methyl]ethanamine;ethane;bis(N-ethylacetamide);2-(ethylamino)ethenolate;N-ethylaniline;N-ethyl-1-benzothiophene-3-carboxamide;N-ethyl-1H-indole-3-carboxamide;N-ethyl-4-methylaniline;N-ethylpyridine-4-carboxamide;N-ethyl-1H-pyrrole-3-carboxamide;N-ethylquinoline-4-carboxamide;methane;1-methyl-4-prop-1-enylbenzene;bis(prop-1-enylbenzene);quinoline
CID 158714898
(E)-3-(furan-3-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;1H-indol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-pyridin-2-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-3-quinolin-3-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-2-ylprop-2-en-1-one;(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-3-ylprop-2-en-1-one
CID 159084353
ethane;furan;1-(furan-2-yl)-N-methylmethanamine;1-(furan-3-yl)-N-methylmethanamine;1H-indole;methane;3-(1-methoxyethenyl)furan;3-(1-methoxyethenyl)-1H-indole;3-(1-methoxyethenyl)-1H-pyrrole;tris(2-methoxyprop-1-ene);methyl acetate;methyl 1-benzothiophene-3-carboxylate;tris(N-methylethanamine);1-methyl-4-prop-1-enylbenzene;methyl pyridine-4-carboxylate;N-methyl-1-pyridin-4-ylmethanamine;N-methyl-1-(1H-pyrrol-3-yl)methanamine;methyl quinoline-4-carboxylate;prop-1-enylbenzene;bis(pyridine);bis(1H-pyrrole);quinoline
CID 159531756
1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one;1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-methylfuran-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;2-methyl-1-[(3S)-3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;2-methyl-1-[(3R)-3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
CID 159930169
bis(8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethyloctan-2-one);bis(8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethyloctan-2-one);8-(2-chlorophenyl)-3,3-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octan-2-one
CID 160640917
1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one;1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;2-methyl-1-[(3S)-3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;2-methyl-1-[(3R)-3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
CID 160902660
1,1'-biphenyl;but-2-ene;ethane;furan;1-(furan-2-yl)-N-methylmethanamine;1-(furan-3-yl)-N-methylmethanamine;1H-indole;3-(1-methoxyethenyl)-1H-indole;methoxymethane;bis(2-methoxyprop-1-ene);methyl acetate;methyl 1-benzothiophene-3-carboxylate;tris(N-methylethanamine);methyl furan-3-carboxylate;1-methyl-4-prop-1-enylbenzene;methyl pyridine-4-carboxylate;N-methyl-1-pyridin-4-ylmethanamine;methyl 1H-pyrrole-3-carboxylate;N-methyl-1-(1H-pyrrol-3-yl)methanamine;methyl quinoline-4-carboxylate;bis(prop-1-enylbenzene);bis(pyridine);bis(1H-pyrrole);quinoline
CID 161556885
9-(2-chlorophenyl)-9-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-3,3-dimethylnonan-2-one;bis(9-(2-chlorophenyl)-9-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethylnonan-2-one);bis(8-(2-chlorophenyl)-3,3-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octan-2-one)
CID 161692921
(E)-3-(furan-2-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-3-(furan-3-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;1H-indol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-pyridin-2-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-2-ylprop-2-en-1-one;(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-3-ylprop-2-en-1-one
CID 161821523

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophene;2-chlorofuran;N-[(5-chlorofuran-3-yl)methyl]ethanamine;ethane;pentakis(N-ethylacetamide);N-ethyl-1-benzothiophene-3-carboxamide;N-ethylethanamine;N-ethyl-1H-indole-3-carboxamide;N-ethylpyridine-4-carboxamide;N-ethyl-1H-pyrrole-3-carboxamide;N-ethylquinoline-4-carboxamide;1H-indole;1-methyl-4-prop-1-enylbenzene;bis(prop-1-enylbenzene);pyridine;N-(pyridin-4-ylmethyl)ethanamine;1H-pyrrole;N-(1H-pyrrol-3-ylmethyl)ethanamine;quinoline?
The IUPAC name of 1-benzothiophene;2-chlorofuran;N-[(5-chlorofuran-3-yl)methyl]ethanamine;ethane;pentakis(N-ethylacetamide);N-ethyl-1-benzothiophene-3-carboxamide;N-ethylethanamine;N-ethyl-1H-indole-3-carboxamide;N-ethylpyridine-4-carboxamide;N-ethyl-1H-pyrrole-3-carboxamide;N-ethylquinoline-4-carboxamide;1H-indole;1-methyl-4-prop-1-enylbenzene;bis(prop-1-enylbenzene);pyridine;N-(pyridin-4-ylmethyl)ethanamine;1H-pyrrole;N-(1H-pyrrol-3-ylmethyl)ethanamine;quinoline (CID 159358784) is 1-benzothiophene;2-chlorofuran;N-[(5-chlorofuran-3-yl)methyl]ethanamine;ethane;pentakis(N-ethylacetamide);N-ethyl-1-benzothiophene-3-carboxamide;N-ethylethanamine;N-ethyl-1H-indole-3-carboxamide;N-ethylpyridine-4-carboxamide;N-ethyl-1H-pyrrole-3-carboxamide;N-ethylquinoline-4-carboxamide;1H-indole;1-methyl-4-prop-1-enylbenzene;bis(prop-1-enylbenzene);pyridine;N-(pyridin-4-ylmethyl)ethanamine;1H-pyrrole;N-(1H-pyrrol-3-ylmethyl)ethanamine;quinoline.
What is the SMILES notation for 1-benzothiophene;2-chlorofuran;N-[(5-chlorofuran-3-yl)methyl]ethanamine;ethane;pentakis(N-ethylacetamide);N-ethyl-1-benzothiophene-3-carboxamide;N-ethylethanamine;N-ethyl-1H-indole-3-carboxamide;N-ethylpyridine-4-carboxamide;N-ethyl-1H-pyrrole-3-carboxamide;N-ethylquinoline-4-carboxamide;1H-indole;1-methyl-4-prop-1-enylbenzene;bis(prop-1-enylbenzene);pyridine;N-(pyridin-4-ylmethyl)ethanamine;1H-pyrrole;N-(1H-pyrrol-3-ylmethyl)ethanamine;quinoline?
The canonical SMILES for 1-benzothiophene;2-chlorofuran;N-[(5-chlorofuran-3-yl)methyl]ethanamine;ethane;pentakis(N-ethylacetamide);N-ethyl-1-benzothiophene-3-carboxamide;N-ethylethanamine;N-ethyl-1H-indole-3-carboxamide;N-ethylpyridine-4-carboxamide;N-ethyl-1H-pyrrole-3-carboxamide;N-ethylquinoline-4-carboxamide;1H-indole;1-methyl-4-prop-1-enylbenzene;bis(prop-1-enylbenzene);pyridine;N-(pyridin-4-ylmethyl)ethanamine;1H-pyrrole;N-(1H-pyrrol-3-ylmethyl)ethanamine;quinoline is CC.CC=Cc1ccc(C)cc1.CC=Cc1ccccc1.CC=Cc1ccccc1.CCNC(=O)c1c[nH]c2ccccc12.CCNC(=O)c1cc[nH]c1.CCNC(=O)c1ccnc2ccccc12.CCNC(=O)c1ccncc1.CCNC(=O)c1csc2ccccc12.CCNC(C)=O.CCNC(C)=O.CCNC(C)=O.CCNC(C)=O.CCNC(C)=O.CCNCC.CCNCc1cc[nH]c1.CCNCc1ccncc1.CCNCc1coc(Cl)c1.Clc1ccco1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2ncccc2c1.c1ccc2sccc2c1.c1ccncc1.
What is the InChIKey of 1-benzothiophene;2-chlorofuran;N-[(5-chlorofuran-3-yl)methyl]ethanamine;ethane;pentakis(N-ethylacetamide);N-ethyl-1-benzothiophene-3-carboxamide;N-ethylethanamine;N-ethyl-1H-indole-3-carboxamide;N-ethylpyridine-4-carboxamide;N-ethyl-1H-pyrrole-3-carboxamide;N-ethylquinoline-4-carboxamide;1H-indole;1-methyl-4-prop-1-enylbenzene;bis(prop-1-enylbenzene);pyridine;N-(pyridin-4-ylmethyl)ethanamine;1H-pyrrole;N-(1H-pyrrol-3-ylmethyl)ethanamine;quinoline?
The InChIKey is LIGMGIMUHLKEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O.C11H12N2O.C11H11NOS.C10H12.C9H7N.2C9H10.C8H10N2O.C8H12N2.C8H7N.C8H6S.C7H10ClNO.C7H10N2O.C7H12N2.C5H5N.C4H3ClO.5C4H9NO.C4H5N.C4H11N.C2H6/c1-2-13-12(15)10-7-8-14-11-6-4-3-5-9(10)11;1-2-12-11(14)9-7-13-10-6-4-3-5-8(9)10;1-2-12-11(13)9-7-14-10-6-4-3-5-8(9)10;1-3-4-10-7-5-9(2)6-8-10;1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-6-9-7-4-3-5-8-9;1-2-10-8(11)7-3-5-9-6-4-7;1-2-9-7-8-3-5-10-6-4-8;2*1-2-4-8-7(3-1)5-6-9-8;1-2-9-4-6-3-7(8)10-5-6;1-2-9-7(10)6-3-4-8-5-6;1-2-8-5-7-3-4-9-6-7;1-2-4-6-5-3-1;5-4-2-1-3-6-4;5*1-3-5-4(2)6;1-2-4-5-3-1;1-3-5-4-2;1-2/h3-8H,2H2,1H3,(H,13,15);3-7,13H,2H2,1H3,(H,12,14);3-7H,2H2,1H3,(H,12,13);3-8H,1-2H3;1-7H;2*2-8H,1H3;3-6H,2H2,1H3,(H,10,11);3-6,9H,2,7H2,1H3;1-6,9H;1-6H;3,5,9H,2,4H2,1H3;3-5,8H,2H2,1H3,(H,9,10);3-4,6,8-9H,2,5H2,1H3;1-5H;1-3H;5*3H2,1-2H3,(H,5,6);1-5H;5H,3-4H2,1-2H3;1-2H3.
What are the key properties of 1-benzothiophene;2-chlorofuran;N-[(5-chlorofuran-3-yl)methyl]ethanamine;ethane;pentakis(N-ethylacetamide);N-ethyl-1-benzothiophene-3-carboxamide;N-ethylethanamine;N-ethyl-1H-indole-3-carboxamide;N-ethylpyridine-4-carboxamide;N-ethyl-1H-pyrrole-3-carboxamide;N-ethylquinoline-4-carboxamide;1H-indole;1-methyl-4-prop-1-enylbenzene;bis(prop-1-enylbenzene);pyridine;N-(pyridin-4-ylmethyl)ethanamine;1H-pyrrole;N-(1H-pyrrol-3-ylmethyl)ethanamine;quinoline?
1-benzothiophene;2-chlorofuran;N-[(5-chlorofuran-3-yl)methyl]ethanamine;ethane;pentakis(N-ethylacetamide);N-ethyl-1-benzothiophene-3-carboxamide;N-ethylethanamine;N-ethyl-1H-indole-3-carboxamide;N-ethylpyridine-4-carboxamide;N-ethyl-1H-pyrrole-3-carboxamide;N-ethylquinoline-4-carboxamide;1H-indole;1-methyl-4-prop-1-enylbenzene;bis(prop-1-enylbenzene);pyridine;N-(pyridin-4-ylmethyl)ethanamine;1H-pyrrole;N-(1H-pyrrol-3-ylmethyl)ethanamine;quinoline has a molecular weight of 2838.72 g/mol, XLogP of 34.66, 29 rotatable bonds, 19 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophene;2-chlorofuran;N-[(5-chlorofuran-3-yl)methyl]ethanamine;ethane;pentakis(N-ethylacetamide);N-ethyl-1-benzothiophene-3-carboxamide;N-ethylethanamine;N-ethyl-1H-indole-3-carboxamide;N-ethylpyridine-4-carboxamide;N-ethyl-1H-pyrrole-3-carboxamide;N-ethylquinoline-4-carboxamide;1H-indole;1-methyl-4-prop-1-enylbenzene;bis(prop-1-enylbenzene);pyridine;N-(pyridin-4-ylmethyl)ethanamine;1H-pyrrole;N-(1H-pyrrol-3-ylmethyl)ethanamine;quinoline is sourced from PubChem (CID 159358784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).