7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-4-methyl-1,4-benzoxazin-3-one;4-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-1-methylquinolin-2-one;6-tert-butyl-1H-quinolin-2-one;methane;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one

C196H273N21O8 — CID 158606786

About 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-4-methyl-1,4-benzoxazin-3-one;4-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-1-methylquinolin-2-one;6-tert-butyl-1H-quinolin-2-one;methane;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one

7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-4-methyl-1,4-benzoxazin-3-one;4-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-1-methylquinolin-2-one;6-tert-butyl-1H-quinolin-2-one;methane;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one (PubChem CID 158606786) has the molecular formula C196H273N21O8 and a molecular weight of 3051.48 g/mol. Its IUPAC name is 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-4-methyl-1,4-benzoxazin-3-one;4-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-1-methylquinolin-2-one;6-tert-butyl-1H-quinolin-2-one;methane;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one.

Molecular Properties

• Compound Name: 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-4-methyl-1,4-benzoxazin-3-one;4-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-1-methylquinolin-2-one;6-tert-butyl-1H-quinolin-2-one;methane;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one
• PubChem CID: 158606786
• Molecular Formula: C196H273N21O8
• Molecular Weight: 3051.48 g/mol
• Exact Mass: 3049.16
• IUPAC Name: 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-4-methyl-1,4-benzoxazin-3-one;4-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-1-methylquinolin-2-one;6-tert-butyl-1H-quinolin-2-one;methane;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one
• SMILES: C.C.C.C.C.C.C.CC(C)(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)OCC(=O)N2.CC(C)c1ccc2c(c1)CCC(=O)N2C.CN1C(=O)COc2cc(C(C)(C)C)ccc21.Cn1c(=O)ccc2cc(C(C)(C)C)ccc21.Cn1ccc2c(C(C)(C)C)cccc21.Cn1ccc2cc(C(C)(C)C)ccc21.Cn1ccc2ccc(C(C)(C)C)cc21.Cn1cnc2c(C(C)(C)C)cccc21.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1cnc2ccc(C(C)(C)C)cc21.Cn1ncc2c(C(C)(C)C)cccc21.Cn1ncc2cc(C(C)(C)C)ccc21.Cn1ncc2ccc(C(C)(C)C)cc21
• InChI: InChI=1S/C14H17NO.C13H17NO2.C13H17NO.C13H15NO.C13H17NO.3C13H17N.6C12H16N2.C12H15NO2.7CH4/c1-14(2,3)11-6-7-12-10(9-11)5-8-13(16)15(12)4;1-13(2,3)9-5-6-10-11(7-9)16-8-12(15)14(10)4;2*1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-9(2)10-4-6-12-11(8-10)5-7-13(15)14(12)3;1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-13(2,3)11-6-5-10-7-8-14(4)12(10)9-11;1-13(2,3)11-6-5-7-12-10(11)8-9-14(12)4;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-12(2,3)9-5-6-10-11(7-9)14(4)8-13-10;1-12(2,3)10-6-5-7-11-9(10)8-13-14(11)4;1-12(2,3)9-6-5-7-10-11(9)13-8-14(10)4;1-12(2,3)8-4-5-9-10(6-8)15-7-11(14)13-9;;;;;;;/h5-9H,1-4H3;5-7H,8H2,1-4H3;5-6,8H,4,7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4,6,8-9H,5,7H2,1-3H3;3*5-9H,1-4H3;6*5-8H,1-4H3;4-6H,7H2,1-3H3,(H,13,14);7*1H4
• InChIKey: HWICCTSVXDTEBY-UHFFFAOYSA-N
• XLogP: 48.01
• TPSA: 293.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 1
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3051.48
LogP ≤ 5	48.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-4-methyl-1,4-benzoxazin-3-one;4-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-1-methylquinolin-2-one;6-tert-butyl-1H-quinolin-2-one;methane;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one?

The IUPAC name of 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-4-methyl-1,4-benzoxazin-3-one;4-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-1-methylquinolin-2-one;6-tert-butyl-1H-quinolin-2-one;methane;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one (CID 158606786) is 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-4-methyl-1,4-benzoxazin-3-one;4-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-1-methylquinolin-2-one;6-tert-butyl-1H-quinolin-2-one;methane;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one.

What is the SMILES notation for 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-4-methyl-1,4-benzoxazin-3-one;4-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-1-methylquinolin-2-one;6-tert-butyl-1H-quinolin-2-one;methane;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one?

The canonical SMILES for 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-4-methyl-1,4-benzoxazin-3-one;4-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-1-methylquinolin-2-one;6-tert-butyl-1H-quinolin-2-one;methane;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one is C.C.C.C.C.C.C.CC(C)(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)OCC(=O)N2.CC(C)c1ccc2c(c1)CCC(=O)N2C.CN1C(=O)COc2cc(C(C)(C)C)ccc21.Cn1c(=O)ccc2cc(C(C)(C)C)ccc21.Cn1ccc2c(C(C)(C)C)cccc21.Cn1ccc2cc(C(C)(C)C)ccc21.Cn1ccc2ccc(C(C)(C)C)cc21.Cn1cnc2c(C(C)(C)C)cccc21.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1cnc2ccc(C(C)(C)C)cc21.Cn1ncc2c(C(C)(C)C)cccc21.Cn1ncc2cc(C(C)(C)C)ccc21.Cn1ncc2ccc(C(C)(C)C)cc21.

What is the InChIKey of 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-4-methyl-1,4-benzoxazin-3-one;4-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-1-methylquinolin-2-one;6-tert-butyl-1H-quinolin-2-one;methane;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one?

The InChIKey is HWICCTSVXDTEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO.C13H17NO2.C13H17NO.C13H15NO.C13H17NO.3C13H17N.6C12H16N2.C12H15NO2.7CH4/c1-14(2,3)11-6-7-12-10(9-11)5-8-13(16)15(12)4;1-13(2,3)9-5-6-10-11(7-9)16-8-12(15)14(10)4;2*1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-9(2)10-4-6-12-11(8-10)5-7-13(15)14(12)3;1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-13(2,3)11-6-5-10-7-8-14(4)12(10)9-11;1-13(2,3)11-6-5-7-12-10(11)8-9-14(12)4;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-12(2,3)9-5-6-10-11(7-9)14(4)8-13-10;1-12(2,3)10-6-5-7-11-9(10)8-13-14(11)4;1-12(2,3)9-6-5-7-10-11(9)13-8-14(10)4;1-12(2,3)8-4-5-9-10(6-8)15-7-11(14)13-9;;;;;;;/h5-9H,1-4H3;5-7H,8H2,1-4H3;5-6,8H,4,7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4,6,8-9H,5,7H2,1-3H3;3*5-9H,1-4H3;6*5-8H,1-4H3;4-6H,7H2,1-3H3,(H,13,14);7*1H4.

What are the key properties of 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-4-methyl-1,4-benzoxazin-3-one;4-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-1-methylquinolin-2-one;6-tert-butyl-1H-quinolin-2-one;methane;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one?

7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-4-methyl-1,4-benzoxazin-3-one;4-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-1-methylquinolin-2-one;6-tert-butyl-1H-quinolin-2-one;methane;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one has a molecular weight of 3051.48 g/mol, XLogP of 48.01, 1 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-4-methyl-1,4-benzoxazin-3-one;4-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-1-methylquinolin-2-one;6-tert-butyl-1H-quinolin-2-one;methane;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 158606786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).