1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;7-methylisoquinoline;2-methylnaphthalene;6-methylphthalazine;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline

C185H291N19O4 — CID 157277947

IUPAC1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;7-methylisoquinoline;2-methylnaphthalene;6-methylphthalazine;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)CN(C)C2=O.Cc1ccc2c(ccn2C)c1.Cc1ccc2c(cnn2C)c1.Cc1ccc2ccccc2c1.Cc1ccc2ccncc2c1.Cc1ccc2cnn(C)c2c1.Cc1ccc2cnncc2c1.Cc1ccc2ncccc2c1.Cc1ccc2nccnc2c1.Cc1ccc2ncncc2c1.Cc1ccc2ncoc2c1.Cc1ccc2nnccc2c1.Cc1ccc2ocnc2c1.Cc1ccc2oncc2c1
InChIInChI=1S/C11H10.C10H11NO.C10H11N.2C10H9N.2C9H10N2.4C9H8N2.3C8H7NO.28C2H6/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-3-4-9-8(5-7)6-11(2)10(9)12;1-8-3-4-10-9(7-8)5-6-11(10)2;1-8-2-3-9-4-5-11-7-10(9)6-8;1-8-4-5-10-9(7-8)3-2-6-11-10;1-7-3-4-9-8(5-7)6-10-11(9)2;1-7-3-4-8-6-10-11(2)9(8)5-7;1-7-2-3-9-8(4-7)5-10-6-11-9;1-7-2-3-8-5-10-11-6-9(8)4-7;1-7-2-3-9-8(6-7)4-5-10-11-9;1-7-2-3-8-9(6-7)11-5-4-10-8;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-8(4-6)10-5-9-7;28*1-2/h2-8H,1H3;3-5H,6H2,1-2H3;3-7H,1-2H3;2*2-7H,1H3;2*3-6H,1-2H3;4*2-6H,1H3;3*2-5H,1H3;28*1-2H3
InChIKeyAZIAAWUNSQLLME-UHFFFAOYSA-N
MW2845.49 g/mol
LogP58.96
Rot. Bonds

About 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;7-methylisoquinoline;2-methylnaphthalene;6-methylphthalazine;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline

1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;7-methylisoquinoline;2-methylnaphthalene;6-methylphthalazine;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline (PubChem CID 157277947) has the molecular formula C185H291N19O4 and a molecular weight of 2845.49 g/mol. Its IUPAC name is 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;7-methylisoquinoline;2-methylnaphthalene;6-methylphthalazine;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline.

Molecular Properties

Compound Name1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;7-methylisoquinoline;2-methylnaphthalene;6-methylphthalazine;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
PubChem CID157277947
Molecular FormulaC185H291N19O4
Molecular Weight2845.49 g/mol
Exact Mass2843.32
IUPAC Name1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;7-methylisoquinoline;2-methylnaphthalene;6-methylphthalazine;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)CN(C)C2=O.Cc1ccc2c(ccn2C)c1.Cc1ccc2c(cnn2C)c1.Cc1ccc2ccccc2c1.Cc1ccc2ccncc2c1.Cc1ccc2cnn(C)c2c1.Cc1ccc2cnncc2c1.Cc1ccc2ncccc2c1.Cc1ccc2nccnc2c1.Cc1ccc2ncncc2c1.Cc1ccc2ncoc2c1.Cc1ccc2nnccc2c1.Cc1ccc2ocnc2c1.Cc1ccc2oncc2c1
InChIInChI=1S/C11H10.C10H11NO.C10H11N.2C10H9N.2C9H10N2.4C9H8N2.3C8H7NO.28C2H6/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-3-4-9-8(5-7)6-11(2)10(9)12;1-8-3-4-10-9(7-8)5-6-11(10)2;1-8-2-3-9-4-5-11-7-10(9)6-8;1-8-4-5-10-9(7-8)3-2-6-11-10;1-7-3-4-9-8(5-7)6-10-11(9)2;1-7-3-4-8-6-10-11(2)9(8)5-7;1-7-2-3-9-8(4-7)5-10-6-11-9;1-7-2-3-8-5-10-11-6-9(8)4-7;1-7-2-3-9-8(6-7)4-5-10-11-9;1-7-2-3-8-9(6-7)11-5-4-10-8;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-8(4-6)10-5-9-7;28*1-2/h2-8H,1H3;3-5H,6H2,1-2H3;3-7H,1-2H3;2*2-7H,1H3;2*3-6H,1-2H3;4*2-6H,1H3;3*2-5H,1H3;28*1-2H3
InChIKeyAZIAAWUNSQLLME-UHFFFAOYSA-N
XLogP58.96
TPSA267.87 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002845.49
LogP ≤ 558.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;7-methylisoquinoline;2-methylnaphthalene;6-methylphthalazine;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;7-methylisoquinoline;2-methylnaphthalene;6-methylphthalazine;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline?
The IUPAC name of 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;7-methylisoquinoline;2-methylnaphthalene;6-methylphthalazine;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline (CID 157277947) is 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;7-methylisoquinoline;2-methylnaphthalene;6-methylphthalazine;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline.
What is the SMILES notation for 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;7-methylisoquinoline;2-methylnaphthalene;6-methylphthalazine;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline?
The canonical SMILES for 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;7-methylisoquinoline;2-methylnaphthalene;6-methylphthalazine;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)CN(C)C2=O.Cc1ccc2c(ccn2C)c1.Cc1ccc2c(cnn2C)c1.Cc1ccc2ccccc2c1.Cc1ccc2ccncc2c1.Cc1ccc2cnn(C)c2c1.Cc1ccc2cnncc2c1.Cc1ccc2ncccc2c1.Cc1ccc2nccnc2c1.Cc1ccc2ncncc2c1.Cc1ccc2ncoc2c1.Cc1ccc2nnccc2c1.Cc1ccc2ocnc2c1.Cc1ccc2oncc2c1.
What is the InChIKey of 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;7-methylisoquinoline;2-methylnaphthalene;6-methylphthalazine;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline?
The InChIKey is AZIAAWUNSQLLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10.C10H11NO.C10H11N.2C10H9N.2C9H10N2.4C9H8N2.3C8H7NO.28C2H6/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-3-4-9-8(5-7)6-11(2)10(9)12;1-8-3-4-10-9(7-8)5-6-11(10)2;1-8-2-3-9-4-5-11-7-10(9)6-8;1-8-4-5-10-9(7-8)3-2-6-11-10;1-7-3-4-9-8(5-7)6-10-11(9)2;1-7-3-4-8-6-10-11(2)9(8)5-7;1-7-2-3-9-8(4-7)5-10-6-11-9;1-7-2-3-8-5-10-11-6-9(8)4-7;1-7-2-3-9-8(6-7)4-5-10-11-9;1-7-2-3-8-9(6-7)11-5-4-10-8;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-8(4-6)10-5-9-7;28*1-2/h2-8H,1H3;3-5H,6H2,1-2H3;3-7H,1-2H3;2*2-7H,1H3;2*3-6H,1-2H3;4*2-6H,1H3;3*2-5H,1H3;28*1-2H3.
What are the key properties of 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;7-methylisoquinoline;2-methylnaphthalene;6-methylphthalazine;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline?
1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;7-methylisoquinoline;2-methylnaphthalene;6-methylphthalazine;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline has a molecular weight of 2845.49 g/mol, XLogP of 58.96, 0 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;7-methylisoquinoline;2-methylnaphthalene;6-methylphthalazine;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline is sourced from PubChem (CID 157277947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).