ethane;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one

C114H151N9O2S — CID 158360155

IUPACethane;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CCc2ccccc21.Cc1c[nH]c2ccccc12.Cc1cc2ccccc2[nH]1.Cc1cc2ccccc2[nH]c1=O.Cc1ccc2c(c1)CCO2.Cc1ccc2cccnc2c1.Cc1ccc2cnccc2n1.Cc1ccc2ncsc2c1.Cc1cccc2cccnc12.Cc1cnc2ccccc2c1
InChIInChI=1S/C10H9NO.3C10H9N.C10H12.C9H8N2.2C9H9N.C9H10O.C8H7NS.10C2H6/c1-7-6-8-4-2-3-5-9(8)11-10(7)12;1-8-4-2-5-9-6-3-7-11-10(8)9;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-9-4-2-3-5-10(8)9;1-7-2-3-8-6-10-5-4-9(8)11-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-7-2-3-9-8(6-7)4-5-10-9;1-6-2-3-7-8(4-6)10-5-9-7;10*1-2/h2-6H,1H3,(H,11,12);3*2-7H,1H3;2-5,8H,6-7H2,1H3;2-6H,1H3;2*2-6,10H,1H3;2-3,6H,4-5H2,1H3;2-5H,1H3;10*1-2H3
InChIKeyGTJGDNCAPDAUKD-UHFFFAOYSA-N
MW1711.59 g/mol
LogP33.89
Rot. Bonds

About ethane;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one

ethane;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one (PubChem CID 158360155) has the molecular formula C114H151N9O2S and a molecular weight of 1711.59 g/mol. Its IUPAC name is ethane;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Nameethane;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one
PubChem CID158360155
Molecular FormulaC114H151N9O2S
Molecular Weight1711.59 g/mol
Exact Mass1710.17
IUPAC Nameethane;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CCc2ccccc21.Cc1c[nH]c2ccccc12.Cc1cc2ccccc2[nH]1.Cc1cc2ccccc2[nH]c1=O.Cc1ccc2c(c1)CCO2.Cc1ccc2cccnc2c1.Cc1ccc2cnccc2n1.Cc1ccc2ncsc2c1.Cc1cccc2cccnc12.Cc1cnc2ccccc2c1
InChIInChI=1S/C10H9NO.3C10H9N.C10H12.C9H8N2.2C9H9N.C9H10O.C8H7NS.10C2H6/c1-7-6-8-4-2-3-5-9(8)11-10(7)12;1-8-4-2-5-9-6-3-7-11-10(8)9;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-9-4-2-3-5-10(8)9;1-7-2-3-8-6-10-5-4-9(8)11-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-7-2-3-9-8(6-7)4-5-10-9;1-6-2-3-7-8(4-6)10-5-9-7;10*1-2/h2-6H,1H3,(H,11,12);3*2-7H,1H3;2-5,8H,6-7H2,1H3;2-6H,1H3;2*2-6,10H,1H3;2-3,6H,4-5H2,1H3;2-5H,1H3;10*1-2H3
InChIKeyGTJGDNCAPDAUKD-UHFFFAOYSA-N
XLogP33.89
TPSA151.01 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001711.59
LogP ≤ 533.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze ethane;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one with MolForge

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Related Compounds

ethane;3-methyl-1H-benzimidazol-2-one;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;3-methyl-1H-quinolin-2-one
CID 157671941
1-butan-2-yl-2-methoxybenzene;cumene;3,7-diethyl-1H-indole;2,5-diethylpyridine;3-ethyl-9H-carbazole;4-ethyl-9H-carbazole;1-ethylcyclopenta-1,3-diene;3-ethyl-1H-indole;2-ethyl-6-methoxynaphthalene;2-ethyl-1-methylpyrrole;4-ethylpyrene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;4-ethyl-3H-pyrrole;3-ethylquinoline;2-ethylthiophene;3-ethylthiophene;1-hexan-2-yl-3,5-dimethylbenzene
CID 158232061
ethane;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one
CID 158508043
5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-3H-pyrrole;cumene;2-propan-2-ylcyclohexa-2,4-dien-1-one;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 158590226
2,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,3-dimethylcyclobutane;2,7-dimethyl-1,4-dihydroisoquinolin-3-one;3,6-dimethyl-1H-indole;1-ethyl-3-methylcyclobutane;1,3,6-trimethylindazole;1,4-xylene
CID 159235306
ethane;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;3-methyl-1H-quinolin-2-one
CID 159471117
1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-1H-indene;3-tert-butyl-1H-indene;2-tert-butyl-1,6-naphthyridine;3-tert-butyl-1H-1,7-naphthyridin-2-one;2,5-ditert-butyl-1,3-benzodioxole;2,6-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-2,3-dihydro-1-benzofuran;pentakis(2,2-dimethylpropane)
CID 159720734
ethane;bis(6-methyl-1,3-benzothiazole);5-methyl-2,3-dihydro-1-benzofuran;2-methyl-1H-indene;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one
CID 160122694
cumene;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylpyrrolidin-2-one;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 160183964
ethane;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;3-methyl-1H-quinolin-2-one
CID 160537408
ethane;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one
CID 160987283
ethane;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;3-methyl-1H-indole;1-methylnaphthalene;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one
CID 161058051

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one?
The IUPAC name of ethane;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one (CID 158360155) is ethane;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one.
What is the SMILES notation for ethane;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one?
The canonical SMILES for ethane;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CCc2ccccc21.Cc1c[nH]c2ccccc12.Cc1cc2ccccc2[nH]1.Cc1cc2ccccc2[nH]c1=O.Cc1ccc2c(c1)CCO2.Cc1ccc2cccnc2c1.Cc1ccc2cnccc2n1.Cc1ccc2ncsc2c1.Cc1cccc2cccnc12.Cc1cnc2ccccc2c1.
What is the InChIKey of ethane;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one?
The InChIKey is GTJGDNCAPDAUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO.3C10H9N.C10H12.C9H8N2.2C9H9N.C9H10O.C8H7NS.10C2H6/c1-7-6-8-4-2-3-5-9(8)11-10(7)12;1-8-4-2-5-9-6-3-7-11-10(8)9;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-9-4-2-3-5-10(8)9;1-7-2-3-8-6-10-5-4-9(8)11-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-7-2-3-9-8(6-7)4-5-10-9;1-6-2-3-7-8(4-6)10-5-9-7;10*1-2/h2-6H,1H3,(H,11,12);3*2-7H,1H3;2-5,8H,6-7H2,1H3;2-6H,1H3;2*2-6,10H,1H3;2-3,6H,4-5H2,1H3;2-5H,1H3;10*1-2H3.
What are the key properties of ethane;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one?
ethane;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one has a molecular weight of 1711.59 g/mol, XLogP of 33.89, 0 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;7-methylquinoline;8-methylquinoline;3-methyl-1H-quinolin-2-one is sourced from PubChem (CID 158360155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).