2,7-dimethylquinoline;3,7-dimethylquinoline;4,7-dimethylquinoline;5,8-dimethylquinoline;6,8-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;6,7-dimethylquinoxaline

C85H85N11 — CID 159538435

IUPAC2,7-dimethylquinoline;3,7-dimethylquinoline;4,7-dimethylquinoline;5,8-dimethylquinoline;6,8-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;6,7-dimethylquinoxaline
SMILESCc1cc(C)c2ncccc2c1.Cc1cc2nccnc2cc1C.Cc1ccc(C)c2ncccc12.Cc1ccc(C)c2nccnc12.Cc1ccc2c(C)ccnc2c1.Cc1ccc2ccc(C)nc2c1.Cc1ccc2nc(C)cnc2c1.Cc1cnc2cc(C)ccc2c1
InChIInChI=1S/5C11H11N.3C10H10N2/c1-8-3-5-10-6-4-9(2)12-11(10)7-8;1-8-3-4-10-5-9(2)7-12-11(10)6-8;1-8-3-4-10-9(2)5-6-12-11(10)7-8;1-8-5-6-9(2)11-10(8)4-3-7-12-11;1-8-6-9(2)11-10(7-8)4-3-5-12-11;1-7-5-9-10(6-8(7)2)12-4-3-11-9;1-7-3-4-9-10(5-7)11-6-8(2)12-9;1-7-3-4-8(2)10-9(7)11-5-6-12-10/h5*3-7H,1-2H3;3*3-6H,1-2H3
InChIKeyMDWVJFTYORDQMZ-UHFFFAOYSA-N
MW1260.69 g/mol
LogP21.00
Rot. Bonds

About 2,7-dimethylquinoline;3,7-dimethylquinoline;4,7-dimethylquinoline;5,8-dimethylquinoline;6,8-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;6,7-dimethylquinoxaline

2,7-dimethylquinoline;3,7-dimethylquinoline;4,7-dimethylquinoline;5,8-dimethylquinoline;6,8-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;6,7-dimethylquinoxaline (PubChem CID 159538435) has the molecular formula C85H85N11 and a molecular weight of 1260.69 g/mol. Its IUPAC name is 2,7-dimethylquinoline;3,7-dimethylquinoline;4,7-dimethylquinoline;5,8-dimethylquinoline;6,8-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;6,7-dimethylquinoxaline.

Molecular Properties

Compound Name2,7-dimethylquinoline;3,7-dimethylquinoline;4,7-dimethylquinoline;5,8-dimethylquinoline;6,8-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;6,7-dimethylquinoxaline
PubChem CID159538435
Molecular FormulaC85H85N11
Molecular Weight1260.69 g/mol
Exact Mass1259.70
IUPAC Name2,7-dimethylquinoline;3,7-dimethylquinoline;4,7-dimethylquinoline;5,8-dimethylquinoline;6,8-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;6,7-dimethylquinoxaline
SMILESCc1cc(C)c2ncccc2c1.Cc1cc2nccnc2cc1C.Cc1ccc(C)c2ncccc12.Cc1ccc(C)c2nccnc12.Cc1ccc2c(C)ccnc2c1.Cc1ccc2ccc(C)nc2c1.Cc1ccc2nc(C)cnc2c1.Cc1cnc2cc(C)ccc2c1
InChIInChI=1S/5C11H11N.3C10H10N2/c1-8-3-5-10-6-4-9(2)12-11(10)7-8;1-8-3-4-10-5-9(2)7-12-11(10)6-8;1-8-3-4-10-9(2)5-6-12-11(10)7-8;1-8-5-6-9(2)11-10(8)4-3-7-12-11;1-8-6-9(2)11-10(7-8)4-3-5-12-11;1-7-5-9-10(6-8(7)2)12-4-3-11-9;1-7-3-4-9-10(5-7)11-6-8(2)12-9;1-7-3-4-8(2)10-9(7)11-5-6-12-10/h5*3-7H,1-2H3;3*3-6H,1-2H3
InChIKeyMDWVJFTYORDQMZ-UHFFFAOYSA-N
XLogP21.00
TPSA141.79 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001260.69
LogP ≤ 521.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2,7-dimethylquinoline;3,7-dimethylquinoline;4,7-dimethylquinoline;5,8-dimethylquinoline;6,8-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;6,7-dimethylquinoxaline with MolForge

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Related Compounds

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CID 159182420
2,3-dimethylacridine;2,6-dimethylacridine;2,7-dimethylacridine;2,9-dimethylacridine;2,9-dimethyl-1,10-phenanthroline;3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;2,3-dimethylquinoxaline;2,6-dimethylquinoxaline;2,8-dimethylquinoxaline;5,8-dimethylquinoxaline;6,7-dimethylquinoxaline;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine
CID 159458035
ethane;4-methylphenanthridine;7-methylphenanthridine;8-methylphenanthridine;2-methyl-1,10-phenanthroline;3-methyl-1,10-phenanthroline;4-methyl-1,10-phenanthroline;5-methyl-1,10-phenanthroline
CID 161402197
2,3,7-trimethyl-1,10-phenanthroline;2,3,8-trimethyl-1,10-phenanthroline;2,3,9-trimethyl-1,10-phenanthroline;2,7,8-trimethyl-1,10-phenanthroline;2,3,4-trimethylquinoline;2,3,5-trimethylquinoline;2,3,6-trimethylquinoline;2,3,7-trimethylquinoline;2,3,8-trimethylquinoline;3,4,5-trimethylquinoline;3,4,6-trimethylquinoline;3,4,7-trimethylquinoline;2,3,5-trimethylquinoxaline;2,3,6-trimethylquinoxaline;2,6,7-trimethylquinoxaline;5,6,7-trimethylquinoxaline;5,6,8-trimethylquinoxaline
CID 161372970
1,4-dimethylacridine;2,3-dimethylacridine;2,6-dimethylacridine;2,7-dimethylacridine;2,8-dimethylquinoxaline;6,7-dimethylquinoxaline
CID 159403810
bis(6,8-dimethyl-4-propan-2-ylquinoline);2,6-dimethylquinoline;tris(6,8-dimethylquinoline);methane;hexakis(2-methylpropane);6-methyl-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline-8-carboxylic acid;3-methylquinoline;2,6,8-trimethylquinoline
CID 167596788
ethane;3-methylbenzo[h][1,6]naphthyridine;4-methylbenzo[h][1,6]naphthyridine;5-methylbenzo[h][1,6]naphthyridine;7-methylbenzo[h][1,6]naphthyridine;8-methylbenzo[h][1,6]naphthyridine;9-methylbenzo[h][1,6]naphthyridine;2-methylbenzo[h]quinoline;3-methylbenzo[h]quinoline
CID 158740820
2-methyl-1,7-naphthyridine;3-methyl-1,7-naphthyridine;4-methyl-1,7-naphthyridine;5-methyl-1,7-naphthyridine;6-methyl-1,7-naphthyridine;8-methyl-1,7-naphthyridine
CID 159437852
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CID 160893139
2,3,6-trimethylacridine;2,3,7-trimethyl-1,10-phenanthroline;2,3,8-trimethyl-1,10-phenanthroline;2,3,9-trimethyl-1,10-phenanthroline;2,7,8-trimethyl-1,10-phenanthroline;3,4,7-trimethyl-1,10-phenanthroline;3,4,8-trimethyl-1,10-phenanthroline
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CID 175546630
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CID 162257754

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylquinoline;3,7-dimethylquinoline;4,7-dimethylquinoline;5,8-dimethylquinoline;6,8-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;6,7-dimethylquinoxaline?
The IUPAC name of 2,7-dimethylquinoline;3,7-dimethylquinoline;4,7-dimethylquinoline;5,8-dimethylquinoline;6,8-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;6,7-dimethylquinoxaline (CID 159538435) is 2,7-dimethylquinoline;3,7-dimethylquinoline;4,7-dimethylquinoline;5,8-dimethylquinoline;6,8-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;6,7-dimethylquinoxaline.
What is the SMILES notation for 2,7-dimethylquinoline;3,7-dimethylquinoline;4,7-dimethylquinoline;5,8-dimethylquinoline;6,8-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;6,7-dimethylquinoxaline?
The canonical SMILES for 2,7-dimethylquinoline;3,7-dimethylquinoline;4,7-dimethylquinoline;5,8-dimethylquinoline;6,8-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;6,7-dimethylquinoxaline is Cc1cc(C)c2ncccc2c1.Cc1cc2nccnc2cc1C.Cc1ccc(C)c2ncccc12.Cc1ccc(C)c2nccnc12.Cc1ccc2c(C)ccnc2c1.Cc1ccc2ccc(C)nc2c1.Cc1ccc2nc(C)cnc2c1.Cc1cnc2cc(C)ccc2c1.
What is the InChIKey of 2,7-dimethylquinoline;3,7-dimethylquinoline;4,7-dimethylquinoline;5,8-dimethylquinoline;6,8-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;6,7-dimethylquinoxaline?
The InChIKey is MDWVJFTYORDQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/5C11H11N.3C10H10N2/c1-8-3-5-10-6-4-9(2)12-11(10)7-8;1-8-3-4-10-5-9(2)7-12-11(10)6-8;1-8-3-4-10-9(2)5-6-12-11(10)7-8;1-8-5-6-9(2)11-10(8)4-3-7-12-11;1-8-6-9(2)11-10(7-8)4-3-5-12-11;1-7-5-9-10(6-8(7)2)12-4-3-11-9;1-7-3-4-9-10(5-7)11-6-8(2)12-9;1-7-3-4-8(2)10-9(7)11-5-6-12-10/h5*3-7H,1-2H3;3*3-6H,1-2H3.
What are the key properties of 2,7-dimethylquinoline;3,7-dimethylquinoline;4,7-dimethylquinoline;5,8-dimethylquinoline;6,8-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;6,7-dimethylquinoxaline?
2,7-dimethylquinoline;3,7-dimethylquinoline;4,7-dimethylquinoline;5,8-dimethylquinoline;6,8-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;6,7-dimethylquinoxaline has a molecular weight of 1260.69 g/mol, XLogP of 21.00, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylquinoline;3,7-dimethylquinoline;4,7-dimethylquinoline;5,8-dimethylquinoline;6,8-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;6,7-dimethylquinoxaline is sourced from PubChem (CID 159538435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).