2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);1-methylisoquinoline;3-methylisoquinoline;2-methylquinoline

C71H82N10S2 — CID 161157668

IUPAC2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);1-methylisoquinoline;3-methylisoquinoline;2-methylquinoline
SMILESCc1cc2ccccc2cn1.Cc1ccc(C)nc1.Cc1ccc2c(n1)CCN(C)C2.Cc1ccc2ccccc2n1.Cc1cccc(C)n1.Cc1cccnc1C.Cc1csc(C)n1.Cc1csc(C)n1.Cc1nccc2ccccc12
InChIInChI=1S/C10H14N2.3C10H9N.3C7H9N.2C5H7NS/c1-8-3-4-9-7-12(2)6-5-10(9)11-8;1-8-6-9-4-2-3-5-10(9)7-11-8;1-8-10-5-3-2-4-9(10)6-7-11-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;1-6-4-3-5-7(2)8-6;2*1-4-3-7-5(2)6-4/h3-4H,5-7H2,1-2H3;3*2-7H,1H3;3*3-5H,1-2H3;2*3H,1-2H3
InChIKeyUPMVMXSEKONLLH-UHFFFAOYSA-N
MW1139.64 g/mol
LogP17.62
Rot. Bonds

About 2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);1-methylisoquinoline;3-methylisoquinoline;2-methylquinoline

2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);1-methylisoquinoline;3-methylisoquinoline;2-methylquinoline (PubChem CID 161157668) has the molecular formula C71H82N10S2 and a molecular weight of 1139.64 g/mol. Its IUPAC name is 2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);1-methylisoquinoline;3-methylisoquinoline;2-methylquinoline.

Molecular Properties

Compound Name2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);1-methylisoquinoline;3-methylisoquinoline;2-methylquinoline
PubChem CID161157668
Molecular FormulaC71H82N10S2
Molecular Weight1139.64 g/mol
Exact Mass1138.62
IUPAC Name2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);1-methylisoquinoline;3-methylisoquinoline;2-methylquinoline
SMILESCc1cc2ccccc2cn1.Cc1ccc(C)nc1.Cc1ccc2c(n1)CCN(C)C2.Cc1ccc2ccccc2n1.Cc1cccc(C)n1.Cc1cccnc1C.Cc1csc(C)n1.Cc1csc(C)n1.Cc1nccc2ccccc12
InChIInChI=1S/C10H14N2.3C10H9N.3C7H9N.2C5H7NS/c1-8-3-4-9-7-12(2)6-5-10(9)11-8;1-8-6-9-4-2-3-5-10(9)7-11-8;1-8-10-5-3-2-4-9(10)6-7-11-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;1-6-4-3-5-7(2)8-6;2*1-4-3-7-5(2)6-4/h3-4H,5-7H2,1-2H3;3*2-7H,1H3;3*3-5H,1-2H3;2*3H,1-2H3
InChIKeyUPMVMXSEKONLLH-UHFFFAOYSA-N
XLogP17.62
TPSA119.25 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001139.64
LogP ≤ 517.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);1-methylisoquinoline;3-methylisoquinoline;2-methylquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);1-methylisoquinoline;3-methylisoquinoline;2-methylquinoline?
The IUPAC name of 2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);1-methylisoquinoline;3-methylisoquinoline;2-methylquinoline (CID 161157668) is 2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);1-methylisoquinoline;3-methylisoquinoline;2-methylquinoline.
What is the SMILES notation for 2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);1-methylisoquinoline;3-methylisoquinoline;2-methylquinoline?
The canonical SMILES for 2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);1-methylisoquinoline;3-methylisoquinoline;2-methylquinoline is Cc1cc2ccccc2cn1.Cc1ccc(C)nc1.Cc1ccc2c(n1)CCN(C)C2.Cc1ccc2ccccc2n1.Cc1cccc(C)n1.Cc1cccnc1C.Cc1csc(C)n1.Cc1csc(C)n1.Cc1nccc2ccccc12.
What is the InChIKey of 2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);1-methylisoquinoline;3-methylisoquinoline;2-methylquinoline?
The InChIKey is UPMVMXSEKONLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.3C10H9N.3C7H9N.2C5H7NS/c1-8-3-4-9-7-12(2)6-5-10(9)11-8;1-8-6-9-4-2-3-5-10(9)7-11-8;1-8-10-5-3-2-4-9(10)6-7-11-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;1-6-4-3-5-7(2)8-6;2*1-4-3-7-5(2)6-4/h3-4H,5-7H2,1-2H3;3*2-7H,1H3;3*3-5H,1-2H3;2*3H,1-2H3.
What are the key properties of 2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);1-methylisoquinoline;3-methylisoquinoline;2-methylquinoline?
2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);1-methylisoquinoline;3-methylisoquinoline;2-methylquinoline has a molecular weight of 1139.64 g/mol, XLogP of 17.62, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;bis(2,4-dimethyl-1,3-thiazole);1-methylisoquinoline;3-methylisoquinoline;2-methylquinoline is sourced from PubChem (CID 161157668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).