ethane;4-methyldibenzothiophene;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylfuran;5-methyl-1H-indole;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;3-methylquinazolin-4-one;2-methylquinoline;6-methylquinoline;2-methyl-5,6,7,8-tetrahydroquinoline;3-methylthieno[3,2-d]pyrimidin-4-one

C128H179N15O5S2 — CID 159015776

IUPACethane;4-methyldibenzothiophene;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylfuran;5-methyl-1H-indole;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;3-methylquinazolin-4-one;2-methylquinoline;6-methylquinoline;2-methyl-5,6,7,8-tetrahydroquinoline;3-methylthieno[3,2-d]pyrimidin-4-one
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CN1CCCC1.Cc1cc2ccccc2cn1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(c1)CCC(=O)N2.Cc1ccc2c(n1)CCCC2.Cc1ccc2ccccc2n1.Cc1ccc2ncccc2c1.Cc1cccc2c1sc1ccccc12.Cc1ccoc1.Cn1cnc2[nH]ncc2c1=O.Cn1cnc2ccccc2c1=O.Cn1cnc2ccsc2c1=O
InChIInChI=1S/C13H10S.C10H11NO.2C10H9N.C10H13N.C10H9N.C9H8N2O.C9H9N.C7H6N2OS.C6H6N4O.C5H11N.C5H6O.12C2H6/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-7-2-4-9-8(6-7)3-5-10(12)11-9;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-6-9-4-2-3-5-10(9)7-11-8;2*1-8-6-7-9-4-2-3-5-10(9)11-8;1-11-6-10-8-5-3-2-4-7(8)9(11)12;1-7-2-3-9-8(6-7)4-5-10-9;1-9-4-8-5-2-3-11-6(5)7(9)10;1-10-3-7-5-4(6(10)11)2-8-9-5;1-6-4-2-3-5-6;1-5-2-3-6-4-5;12*1-2/h2-8H,1H3;2,4,6H,3,5H2,1H3,(H,11,12);2*2-7H,1H3;6-7H,2-5H2,1H3;2-7H,1H3;2-6H,1H3;2-6,10H,1H3;2-4H,1H3;2-3H,1H3,(H,8,9);2-5H2,1H3;2-4H,1H3;12*1-2H3
InChIKeyJTBNFZJRPZBDGY-UHFFFAOYSA-N
MW2072.07 g/mol
LogP34.82
Rot. Bonds

About ethane;4-methyldibenzothiophene;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylfuran;5-methyl-1H-indole;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;3-methylquinazolin-4-one;2-methylquinoline;6-methylquinoline;2-methyl-5,6,7,8-tetrahydroquinoline;3-methylthieno[3,2-d]pyrimidin-4-one

ethane;4-methyldibenzothiophene;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylfuran;5-methyl-1H-indole;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;3-methylquinazolin-4-one;2-methylquinoline;6-methylquinoline;2-methyl-5,6,7,8-tetrahydroquinoline;3-methylthieno[3,2-d]pyrimidin-4-one (PubChem CID 159015776) has the molecular formula C128H179N15O5S2 and a molecular weight of 2072.07 g/mol. Its IUPAC name is ethane;4-methyldibenzothiophene;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylfuran;5-methyl-1H-indole;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;3-methylquinazolin-4-one;2-methylquinoline;6-methylquinoline;2-methyl-5,6,7,8-tetrahydroquinoline;3-methylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Nameethane;4-methyldibenzothiophene;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylfuran;5-methyl-1H-indole;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;3-methylquinazolin-4-one;2-methylquinoline;6-methylquinoline;2-methyl-5,6,7,8-tetrahydroquinoline;3-methylthieno[3,2-d]pyrimidin-4-one
PubChem CID159015776
Molecular FormulaC128H179N15O5S2
Molecular Weight2072.07 g/mol
Exact Mass2070.37
IUPAC Nameethane;4-methyldibenzothiophene;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylfuran;5-methyl-1H-indole;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;3-methylquinazolin-4-one;2-methylquinoline;6-methylquinoline;2-methyl-5,6,7,8-tetrahydroquinoline;3-methylthieno[3,2-d]pyrimidin-4-one
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CN1CCCC1.Cc1cc2ccccc2cn1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(c1)CCC(=O)N2.Cc1ccc2c(n1)CCCC2.Cc1ccc2ccccc2n1.Cc1ccc2ncccc2c1.Cc1cccc2c1sc1ccccc12.Cc1ccoc1.Cn1cnc2[nH]ncc2c1=O.Cn1cnc2ccccc2c1=O.Cn1cnc2ccsc2c1=O
InChIInChI=1S/C13H10S.C10H11NO.2C10H9N.C10H13N.C10H9N.C9H8N2O.C9H9N.C7H6N2OS.C6H6N4O.C5H11N.C5H6O.12C2H6/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-7-2-4-9-8(6-7)3-5-10(12)11-9;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-6-9-4-2-3-5-10(9)7-11-8;2*1-8-6-7-9-4-2-3-5-10(9)11-8;1-11-6-10-8-5-3-2-4-7(8)9(11)12;1-7-2-3-9-8(6-7)4-5-10-9;1-9-4-8-5-2-3-11-6(5)7(9)10;1-10-3-7-5-4(6(10)11)2-8-9-5;1-6-4-2-3-5-6;1-5-2-3-6-4-5;12*1-2/h2-8H,1H3;2,4,6H,3,5H2,1H3,(H,11,12);2*2-7H,1H3;6-7H,2-5H2,1H3;2-7H,1H3;2-6H,1H3;2-6,10H,1H3;2-4H,1H3;2-3H,1H3,(H,8,9);2-5H2,1H3;2-4H,1H3;12*1-2H3
InChIKeyJTBNFZJRPZBDGY-UHFFFAOYSA-N
XLogP34.82
TPSA246.18 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002072.07
LogP ≤ 534.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze ethane;4-methyldibenzothiophene;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylfuran;5-methyl-1H-indole;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;3-methylquinazolin-4-one;2-methylquinoline;6-methylquinoline;2-methyl-5,6,7,8-tetrahydroquinoline;3-methylthieno[3,2-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyldibenzothiophene;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylfuran;5-methyl-1H-indole;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;3-methylquinazolin-4-one;2-methylquinoline;6-methylquinoline;2-methyl-5,6,7,8-tetrahydroquinoline;3-methylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of ethane;4-methyldibenzothiophene;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylfuran;5-methyl-1H-indole;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;3-methylquinazolin-4-one;2-methylquinoline;6-methylquinoline;2-methyl-5,6,7,8-tetrahydroquinoline;3-methylthieno[3,2-d]pyrimidin-4-one (CID 159015776) is ethane;4-methyldibenzothiophene;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylfuran;5-methyl-1H-indole;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;3-methylquinazolin-4-one;2-methylquinoline;6-methylquinoline;2-methyl-5,6,7,8-tetrahydroquinoline;3-methylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for ethane;4-methyldibenzothiophene;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylfuran;5-methyl-1H-indole;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;3-methylquinazolin-4-one;2-methylquinoline;6-methylquinoline;2-methyl-5,6,7,8-tetrahydroquinoline;3-methylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for ethane;4-methyldibenzothiophene;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylfuran;5-methyl-1H-indole;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;3-methylquinazolin-4-one;2-methylquinoline;6-methylquinoline;2-methyl-5,6,7,8-tetrahydroquinoline;3-methylthieno[3,2-d]pyrimidin-4-one is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CN1CCCC1.Cc1cc2ccccc2cn1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(c1)CCC(=O)N2.Cc1ccc2c(n1)CCCC2.Cc1ccc2ccccc2n1.Cc1ccc2ncccc2c1.Cc1cccc2c1sc1ccccc12.Cc1ccoc1.Cn1cnc2[nH]ncc2c1=O.Cn1cnc2ccccc2c1=O.Cn1cnc2ccsc2c1=O.
What is the InChIKey of ethane;4-methyldibenzothiophene;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylfuran;5-methyl-1H-indole;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;3-methylquinazolin-4-one;2-methylquinoline;6-methylquinoline;2-methyl-5,6,7,8-tetrahydroquinoline;3-methylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is JTBNFZJRPZBDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10S.C10H11NO.2C10H9N.C10H13N.C10H9N.C9H8N2O.C9H9N.C7H6N2OS.C6H6N4O.C5H11N.C5H6O.12C2H6/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-7-2-4-9-8(6-7)3-5-10(12)11-9;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-6-9-4-2-3-5-10(9)7-11-8;2*1-8-6-7-9-4-2-3-5-10(9)11-8;1-11-6-10-8-5-3-2-4-7(8)9(11)12;1-7-2-3-9-8(6-7)4-5-10-9;1-9-4-8-5-2-3-11-6(5)7(9)10;1-10-3-7-5-4(6(10)11)2-8-9-5;1-6-4-2-3-5-6;1-5-2-3-6-4-5;12*1-2/h2-8H,1H3;2,4,6H,3,5H2,1H3,(H,11,12);2*2-7H,1H3;6-7H,2-5H2,1H3;2-7H,1H3;2-6H,1H3;2-6,10H,1H3;2-4H,1H3;2-3H,1H3,(H,8,9);2-5H2,1H3;2-4H,1H3;12*1-2H3.
What are the key properties of ethane;4-methyldibenzothiophene;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylfuran;5-methyl-1H-indole;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;3-methylquinazolin-4-one;2-methylquinoline;6-methylquinoline;2-methyl-5,6,7,8-tetrahydroquinoline;3-methylthieno[3,2-d]pyrimidin-4-one?
ethane;4-methyldibenzothiophene;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylfuran;5-methyl-1H-indole;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;3-methylquinazolin-4-one;2-methylquinoline;6-methylquinoline;2-methyl-5,6,7,8-tetrahydroquinoline;3-methylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 2072.07 g/mol, XLogP of 34.82, 0 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyldibenzothiophene;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylfuran;5-methyl-1H-indole;3-methylisoquinoline;5-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-one;1-methylpyrrolidine;3-methylquinazolin-4-one;2-methylquinoline;6-methylquinoline;2-methyl-5,6,7,8-tetrahydroquinoline;3-methylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 159015776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).