1,3-benzothiazole;1,3-benzoxazole;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;ethane;furo[2,3-d]pyrimidine;1H-imidazo[4,5-b]pyridine;1H-indene;3H-indole;1,6-naphthyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline

C112H146N18O3S — CID 157357127

IUPAC1,3-benzothiazole;1,3-benzoxazole;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;ethane;furo[2,3-d]pyrimidine;1H-imidazo[4,5-b]pyridine;1H-indene;3H-indole;1,6-naphthyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline
SMILESC1=Cc2ccccc2C1.C1=Nc2ccccc2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc2c(cn1)OCC2.c1ccc2ncccc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1cnc2c(c1)CCC2.c1cnc2c(c1)N=NC2.c1cnc2cc[nH]c2c1.c1cnc2ccncc2c1.c1cnc2nc[nH]c2c1.c1ncc2ccoc2n1
InChIInChI=1S/C9H7N.C9H8.C8H6N2.C8H9N.C8H7N.C7H6N2.C7H7NO.C7H5NO.C7H5NS.2C6H5N3.C6H4N2O.12C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;1-2-7-6-9-5-3-8(7)10-4-1;1-3-7-4-2-6-9-8(7)5-1;1-2-4-8-7(3-1)5-6-9-8;1-2-6-7(8-4-1)3-5-9-6;1-3-8-5-7-6(1)2-4-9-7;2*1-2-4-7-6(3-1)8-5-9-7;1-2-5-6(7-3-1)9-4-8-5;1-2-5-6(7-3-1)4-8-9-5;1-2-9-6-5(1)3-7-4-8-6;12*1-2/h1-7H;1-6H,7H2;1-6H;2,4,6H,1,3,5H2;1-4,6H,5H2;1-5,9H;1,3,5H,2,4H2;2*1-5H;1-4H,(H,7,8,9);1-3H,4H2;1-4H;12*1-2H3
InChIKeyBIFJMUAWLJNSBC-UHFFFAOYSA-N
MW1824.59 g/mol
LogP32.51
Rot. Bonds

About 1,3-benzothiazole;1,3-benzoxazole;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;ethane;furo[2,3-d]pyrimidine;1H-imidazo[4,5-b]pyridine;1H-indene;3H-indole;1,6-naphthyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline

1,3-benzothiazole;1,3-benzoxazole;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;ethane;furo[2,3-d]pyrimidine;1H-imidazo[4,5-b]pyridine;1H-indene;3H-indole;1,6-naphthyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline (PubChem CID 157357127) has the molecular formula C112H146N18O3S and a molecular weight of 1824.59 g/mol. Its IUPAC name is 1,3-benzothiazole;1,3-benzoxazole;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;ethane;furo[2,3-d]pyrimidine;1H-imidazo[4,5-b]pyridine;1H-indene;3H-indole;1,6-naphthyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline.

Molecular Properties

Compound Name1,3-benzothiazole;1,3-benzoxazole;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;ethane;furo[2,3-d]pyrimidine;1H-imidazo[4,5-b]pyridine;1H-indene;3H-indole;1,6-naphthyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline
PubChem CID157357127
Molecular FormulaC112H146N18O3S
Molecular Weight1824.59 g/mol
Exact Mass1823.15
IUPAC Name1,3-benzothiazole;1,3-benzoxazole;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;ethane;furo[2,3-d]pyrimidine;1H-imidazo[4,5-b]pyridine;1H-indene;3H-indole;1,6-naphthyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline
SMILESC1=Cc2ccccc2C1.C1=Nc2ccccc2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc2c(cn1)OCC2.c1ccc2ncccc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1cnc2c(c1)CCC2.c1cnc2c(c1)N=NC2.c1cnc2cc[nH]c2c1.c1cnc2ccncc2c1.c1cnc2nc[nH]c2c1.c1ncc2ccoc2n1
InChIInChI=1S/C9H7N.C9H8.C8H6N2.C8H9N.C8H7N.C7H6N2.C7H7NO.C7H5NO.C7H5NS.2C6H5N3.C6H4N2O.12C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;1-2-7-6-9-5-3-8(7)10-4-1;1-3-7-4-2-6-9-8(7)5-1;1-2-4-8-7(3-1)5-6-9-8;1-2-6-7(8-4-1)3-5-9-6;1-3-8-5-7-6(1)2-4-9-7;2*1-2-4-7-6(3-1)8-5-9-7;1-2-5-6(7-3-1)9-4-8-5;1-2-5-6(7-3-1)4-8-9-5;1-2-9-6-5(1)3-7-4-8-6;12*1-2/h1-7H;1-6H,7H2;1-6H;2,4,6H,1,3,5H2;1-4,6H,5H2;1-5,9H;1,3,5H,2,4H2;2*1-5H;1-4H,(H,7,8,9);1-3H,4H2;1-4H;12*1-2H3
InChIKeyBIFJMUAWLJNSBC-UHFFFAOYSA-N
XLogP32.51
TPSA271.74 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001824.59
LogP ≤ 532.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze 1,3-benzothiazole;1,3-benzoxazole;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;ethane;furo[2,3-d]pyrimidine;1H-imidazo[4,5-b]pyridine;1H-indene;3H-indole;1,6-naphthyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline with MolForge

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Related Compounds

5-(7-Fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-[2-[4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholin-2-yl]morpholin-4-yl]-1,3-benzoxazole
CID 146601354
2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-1H-imidazole;4-methyl-1H-indazole;1-methylisoquinoline;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157451853
1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
benzene-1,2-dicarbonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;1,2-bis(trifluoromethyl)benzene;5H-cyclopenta[c]pyridine;3H-indazole;isoindole-1,3-dione;4H-naphthalen-1-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2-phenyl-1,3-benzoxazole;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;quinazoline;1,2,3-tris(trifluoromethyl)benzene
CID 157751392
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;bis(thieno[2,3-c]pyridine);thiophene;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 158113572
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-pyrrol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158306259
benzaldehyde;benzonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-(1,1-difluoroethyl)-1,3-bis(trifluoromethyl)benzene;3H-indole;4-methylidenecyclopent-2-en-1-one;4H-naphthalen-1-one;1,6-naphthyridine;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-phenyl-1,3-benzoxazole;2-pyridin-2-ylpyridine;quinoline
CID 158538440
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-indazole;5-methyl-4H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine
CID 160409071
10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3H-furan-3-id-2-yl)-1,3-benzothiazole;12H-phenanthro[9,10-b]pyridin-12-ide;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole;2-phenyl-1H-imidazole;1-phenylisoquinoline;2-phenyl-1,3-oxazole;2-phenylpyridine;2-phenylquinoline;2-phenyl-1,3-thiazole;2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole
CID 160998536
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1-methylpyrazole;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;6-methylimidazo[1,2-a]pyridine;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;bis(1H-pyrrolo[3,2-c]pyridine);1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 161043810
1-cyclopentyl-3-propan-2-ylbenzene;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 161044231
2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1H-indole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;3-ethenyl-2-methylpyridine;5-fluoro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;5-methylimidazo[1,2-c]pyrimidine;2-methyl-1H-imidazole;4-methyl-1H-indole;1-methylisoquinoline;4-(1-methylisoquinolin-3-yl)morpholine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;4-methylquinazoline;4-(4-methylquinazolin-2-yl)morpholine;4-methylthieno[2,3-d]pyrimidine;4-methyl-2-(trifluoromethyl)-1H-indole;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 161326481

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazole;1,3-benzoxazole;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;ethane;furo[2,3-d]pyrimidine;1H-imidazo[4,5-b]pyridine;1H-indene;3H-indole;1,6-naphthyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline?
The IUPAC name of 1,3-benzothiazole;1,3-benzoxazole;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;ethane;furo[2,3-d]pyrimidine;1H-imidazo[4,5-b]pyridine;1H-indene;3H-indole;1,6-naphthyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline (CID 157357127) is 1,3-benzothiazole;1,3-benzoxazole;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;ethane;furo[2,3-d]pyrimidine;1H-imidazo[4,5-b]pyridine;1H-indene;3H-indole;1,6-naphthyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline.
What is the SMILES notation for 1,3-benzothiazole;1,3-benzoxazole;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;ethane;furo[2,3-d]pyrimidine;1H-imidazo[4,5-b]pyridine;1H-indene;3H-indole;1,6-naphthyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline?
The canonical SMILES for 1,3-benzothiazole;1,3-benzoxazole;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;ethane;furo[2,3-d]pyrimidine;1H-imidazo[4,5-b]pyridine;1H-indene;3H-indole;1,6-naphthyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline is C1=Cc2ccccc2C1.C1=Nc2ccccc2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc2c(cn1)OCC2.c1ccc2ncccc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1cnc2c(c1)CCC2.c1cnc2c(c1)N=NC2.c1cnc2cc[nH]c2c1.c1cnc2ccncc2c1.c1cnc2nc[nH]c2c1.c1ncc2ccoc2n1.
What is the InChIKey of 1,3-benzothiazole;1,3-benzoxazole;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;ethane;furo[2,3-d]pyrimidine;1H-imidazo[4,5-b]pyridine;1H-indene;3H-indole;1,6-naphthyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline?
The InChIKey is BIFJMUAWLJNSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C9H8.C8H6N2.C8H9N.C8H7N.C7H6N2.C7H7NO.C7H5NO.C7H5NS.2C6H5N3.C6H4N2O.12C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;1-2-7-6-9-5-3-8(7)10-4-1;1-3-7-4-2-6-9-8(7)5-1;1-2-4-8-7(3-1)5-6-9-8;1-2-6-7(8-4-1)3-5-9-6;1-3-8-5-7-6(1)2-4-9-7;2*1-2-4-7-6(3-1)8-5-9-7;1-2-5-6(7-3-1)9-4-8-5;1-2-5-6(7-3-1)4-8-9-5;1-2-9-6-5(1)3-7-4-8-6;12*1-2/h1-7H;1-6H,7H2;1-6H;2,4,6H,1,3,5H2;1-4,6H,5H2;1-5,9H;1,3,5H,2,4H2;2*1-5H;1-4H,(H,7,8,9);1-3H,4H2;1-4H;12*1-2H3.
What are the key properties of 1,3-benzothiazole;1,3-benzoxazole;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;ethane;furo[2,3-d]pyrimidine;1H-imidazo[4,5-b]pyridine;1H-indene;3H-indole;1,6-naphthyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline?
1,3-benzothiazole;1,3-benzoxazole;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;ethane;furo[2,3-d]pyrimidine;1H-imidazo[4,5-b]pyridine;1H-indene;3H-indole;1,6-naphthyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline has a molecular weight of 1824.59 g/mol, XLogP of 32.51, 0 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazole;1,3-benzoxazole;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;ethane;furo[2,3-d]pyrimidine;1H-imidazo[4,5-b]pyridine;1H-indene;3H-indole;1,6-naphthyridine;3H-pyrazolo[4,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline is sourced from PubChem (CID 157357127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).