2-methylfuran;2-methylpyridine;2-methyl-1H-pyrrole;2-methylquinoline;7-methylquinoline;2-methylthiophene

C41H44N4OS — CID 159637160

IUPAC2-methylfuran;2-methylpyridine;2-methyl-1H-pyrrole;2-methylquinoline;7-methylquinoline;2-methylthiophene
SMILESCc1ccc2ccccc2n1.Cc1ccc2cccnc2c1.Cc1ccc[nH]1.Cc1ccccn1.Cc1ccco1.Cc1cccs1
InChIInChI=1S/2C10H9N.C6H7N.C5H7N.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;1-6-4-2-3-5-7-6;3*1-5-3-2-4-6-5/h2*2-7H,1H3;2-5H,1H3;2-4,6H,1H3;2*2-4H,1H3
InChIKeyMPWSTGNEXZLCPP-UHFFFAOYSA-N
MW640.90 g/mol
LogP11.44
Rot. Bonds

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

2-methylfuran;2-methylpyridine;2-methyl-1H-pyrrole;2-methylquinoline;7-methylquinoline;2-methylthiophene (PubChem CID 159637160) has the molecular formula C41H44N4OS and a molecular weight of 640.90 g/mol. Its IUPAC name is 2-methylfuran;2-methylpyridine;2-methyl-1H-pyrrole;2-methylquinoline;7-methylquinoline;2-methylthiophene.

Molecular Properties

Compound Name2-methylfuran;2-methylpyridine;2-methyl-1H-pyrrole;2-methylquinoline;7-methylquinoline;2-methylthiophene
PubChem CID159637160
Molecular FormulaC41H44N4OS
Molecular Weight640.90 g/mol
Exact Mass640.32
IUPAC Name2-methylfuran;2-methylpyridine;2-methyl-1H-pyrrole;2-methylquinoline;7-methylquinoline;2-methylthiophene
SMILESCc1ccc2ccccc2n1.Cc1ccc2cccnc2c1.Cc1ccc[nH]1.Cc1ccccn1.Cc1ccco1.Cc1cccs1
InChIInChI=1S/2C10H9N.C6H7N.C5H7N.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;1-6-4-2-3-5-7-6;3*1-5-3-2-4-6-5/h2*2-7H,1H3;2-5H,1H3;2-4,6H,1H3;2*2-4H,1H3
InChIKeyMPWSTGNEXZLCPP-UHFFFAOYSA-N
XLogP11.44
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.90
LogP ≤ 511.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

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
4-[4-(Furan-3-ylmethyl)anilino]-7-[5-[(pyridin-4-ylmethylamino)methyl]thiophen-3-yl]quinoline-3-carbonitrile
CID 23437885
4-[4-(Furan-3-ylmethyl)anilino]-7-[5-[(3-morpholin-4-ylpropylamino)methyl]thiophen-3-yl]quinoline-3-carbonitrile
CID 23437936
7-[5-[(4-Ethylpiperazin-1-yl)methyl]thiophen-3-yl]-4-[4-(furan-3-ylmethyl)anilino]quinoline-3-carbonitrile
CID 23438067
4-[4-(Furan-3-ylmethyl)anilino]-7-[5-(piperidin-1-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile
CID 23438197
4-[4-(Furan-3-ylmethyl)anilino]-7-[5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]thiophen-3-yl]quinoline-3-carbonitrile
CID 23438234
4-[4-(Furan-3-ylmethyl)anilino]-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile
CID 23438338
4-[4-(Furan-3-ylmethyl)anilino]-7-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-3-yl]quinoline-3-carbonitrile
CID 23438398
2-[8-(Furan-2-yl)-3-pyridin-2-yl-2-thiophen-2-ylnaphthalen-1-yl]quinoline
CID 54326698
1-benzofuran;1-benzothiophene;1H-indole
CID 67462302
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
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

Frequently Asked Questions

What is the IUPAC name of 2-methylfuran;2-methylpyridine;2-methyl-1H-pyrrole;2-methylquinoline;7-methylquinoline;2-methylthiophene?
The IUPAC name of 2-methylfuran;2-methylpyridine;2-methyl-1H-pyrrole;2-methylquinoline;7-methylquinoline;2-methylthiophene (CID 159637160) is 2-methylfuran;2-methylpyridine;2-methyl-1H-pyrrole;2-methylquinoline;7-methylquinoline;2-methylthiophene.
What is the SMILES notation for 2-methylfuran;2-methylpyridine;2-methyl-1H-pyrrole;2-methylquinoline;7-methylquinoline;2-methylthiophene?
The canonical SMILES for 2-methylfuran;2-methylpyridine;2-methyl-1H-pyrrole;2-methylquinoline;7-methylquinoline;2-methylthiophene is Cc1ccc2ccccc2n1.Cc1ccc2cccnc2c1.Cc1ccc[nH]1.Cc1ccccn1.Cc1ccco1.Cc1cccs1.
What is the InChIKey of 2-methylfuran;2-methylpyridine;2-methyl-1H-pyrrole;2-methylquinoline;7-methylquinoline;2-methylthiophene?
The InChIKey is MPWSTGNEXZLCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9N.C6H7N.C5H7N.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;1-6-4-2-3-5-7-6;3*1-5-3-2-4-6-5/h2*2-7H,1H3;2-5H,1H3;2-4,6H,1H3;2*2-4H,1H3.
What are the key properties of 2-methylfuran;2-methylpyridine;2-methyl-1H-pyrrole;2-methylquinoline;7-methylquinoline;2-methylthiophene?
2-methylfuran;2-methylpyridine;2-methyl-1H-pyrrole;2-methylquinoline;7-methylquinoline;2-methylthiophene has a molecular weight of 640.90 g/mol, XLogP of 11.44, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylfuran;2-methylpyridine;2-methyl-1H-pyrrole;2-methylquinoline;7-methylquinoline;2-methylthiophene is sourced from PubChem (CID 159637160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).