2-methylfuran;1-methylindole;1-methylpyrrole;2-methyl-1H-pyrrole;2-methylquinoline;7-methylquinoline;2-methylthiophene

C49H53N5OS — CID 158047245

IUPAC2-methylfuran;1-methylindole;1-methylpyrrole;2-methyl-1H-pyrrole;2-methylquinoline;7-methylquinoline;2-methylthiophene
SMILESCc1ccc2ccccc2n1.Cc1ccc2cccnc2c1.Cc1ccc[nH]1.Cc1ccco1.Cc1cccs1.Cn1ccc2ccccc21.Cn1cccc1
InChIInChI=1S/2C10H9N.C9H9N.2C5H7N.C5H6O.C5H6S/c1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-10-7-6-8-4-2-3-5-9(8)10;1-6-4-2-3-5-6;3*1-5-3-2-4-6-5/h2*2-7H,1H3;2-7H,1H3;2-5H,1H3;2-4,6H,1H3;2*2-4H,1H3
InChIKeyFJBHPQXCOARTHG-UHFFFAOYSA-N
MW760.06 g/mol
LogP13.26
Rot. Bonds

About 2-methylfuran;1-methylindole;1-methylpyrrole;2-methyl-1H-pyrrole;2-methylquinoline;7-methylquinoline;2-methylthiophene

2-methylfuran;1-methylindole;1-methylpyrrole;2-methyl-1H-pyrrole;2-methylquinoline;7-methylquinoline;2-methylthiophene (PubChem CID 158047245) has the molecular formula C49H53N5OS and a molecular weight of 760.06 g/mol. Its IUPAC name is 2-methylfuran;1-methylindole;1-methylpyrrole;2-methyl-1H-pyrrole;2-methylquinoline;7-methylquinoline;2-methylthiophene.

Molecular Properties

Compound Name2-methylfuran;1-methylindole;1-methylpyrrole;2-methyl-1H-pyrrole;2-methylquinoline;7-methylquinoline;2-methylthiophene
PubChem CID158047245
Molecular FormulaC49H53N5OS
Molecular Weight760.06 g/mol
Exact Mass759.40
IUPAC Name2-methylfuran;1-methylindole;1-methylpyrrole;2-methyl-1H-pyrrole;2-methylquinoline;7-methylquinoline;2-methylthiophene
SMILESCc1ccc2ccccc2n1.Cc1ccc2cccnc2c1.Cc1ccc[nH]1.Cc1ccco1.Cc1cccs1.Cn1ccc2ccccc21.Cn1cccc1
InChIInChI=1S/2C10H9N.C9H9N.2C5H7N.C5H6O.C5H6S/c1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-10-7-6-8-4-2-3-5-9(8)10;1-6-4-2-3-5-6;3*1-5-3-2-4-6-5/h2*2-7H,1H3;2-7H,1H3;2-5H,1H3;2-4,6H,1H3;2*2-4H,1H3
InChIKeyFJBHPQXCOARTHG-UHFFFAOYSA-N
XLogP13.26
TPSA64.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.06
LogP ≤ 513.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methylfuran;1-methylindole;1-methylpyrrole;2-methyl-1H-pyrrole;2-methylquinoline;7-methylquinoline;2-methylthiophene with MolForge

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Related Compounds

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CID 157481177
tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene
CID 165007738
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1-benzofuran;1-benzothiophene;1H-indole
CID 67462302
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CID 88972142
2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine;2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
CID 123204204
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CID 123289308
1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohex-3-en-1-amine
CID 123653830
2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine;2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
CID 123724688
1-[2-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(2,3-dihydroindol-1-yl)-4-(1H-indol-2-yl)-6-quinolin-2-ylphenyl]isoquinoline
CID 140981088
5-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylindolizine
CID 141136937
2-[6-(furan-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2H-pyrazin-5-yl]-1H-indole
CID 141180704

Frequently Asked Questions

What is the IUPAC name of 2-methylfuran;1-methylindole;1-methylpyrrole;2-methyl-1H-pyrrole;2-methylquinoline;7-methylquinoline;2-methylthiophene?
The IUPAC name of 2-methylfuran;1-methylindole;1-methylpyrrole;2-methyl-1H-pyrrole;2-methylquinoline;7-methylquinoline;2-methylthiophene (CID 158047245) is 2-methylfuran;1-methylindole;1-methylpyrrole;2-methyl-1H-pyrrole;2-methylquinoline;7-methylquinoline;2-methylthiophene.
What is the SMILES notation for 2-methylfuran;1-methylindole;1-methylpyrrole;2-methyl-1H-pyrrole;2-methylquinoline;7-methylquinoline;2-methylthiophene?
The canonical SMILES for 2-methylfuran;1-methylindole;1-methylpyrrole;2-methyl-1H-pyrrole;2-methylquinoline;7-methylquinoline;2-methylthiophene is Cc1ccc2ccccc2n1.Cc1ccc2cccnc2c1.Cc1ccc[nH]1.Cc1ccco1.Cc1cccs1.Cn1ccc2ccccc21.Cn1cccc1.
What is the InChIKey of 2-methylfuran;1-methylindole;1-methylpyrrole;2-methyl-1H-pyrrole;2-methylquinoline;7-methylquinoline;2-methylthiophene?
The InChIKey is FJBHPQXCOARTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9N.C9H9N.2C5H7N.C5H6O.C5H6S/c1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-10-7-6-8-4-2-3-5-9(8)10;1-6-4-2-3-5-6;3*1-5-3-2-4-6-5/h2*2-7H,1H3;2-7H,1H3;2-5H,1H3;2-4,6H,1H3;2*2-4H,1H3.
What are the key properties of 2-methylfuran;1-methylindole;1-methylpyrrole;2-methyl-1H-pyrrole;2-methylquinoline;7-methylquinoline;2-methylthiophene?
2-methylfuran;1-methylindole;1-methylpyrrole;2-methyl-1H-pyrrole;2-methylquinoline;7-methylquinoline;2-methylthiophene has a molecular weight of 760.06 g/mol, XLogP of 13.26, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylfuran;1-methylindole;1-methylpyrrole;2-methyl-1H-pyrrole;2-methylquinoline;7-methylquinoline;2-methylthiophene is sourced from PubChem (CID 158047245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).