6-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-4-methyl-1,4-benzoxazin-3-one;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;7-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;6-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one

C94H129N7O9 — CID 160891063

IUPAC6-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-4-methyl-1,4-benzoxazin-3-one;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;7-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;6-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one
SMILESCC(C)(C)c1ccc2c(c1)NC(=O)CC2.CC(C)(C)c1ccc2c(c1)NC(=O)CO2.CN1C(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc21.CN1C(=O)CCc2ccc(C(C)(C)C)cc21.CN1C(=O)COc2ccc(C(C)(C)C)cc21.CN1CCCc2ccc(C(C)(C)C)cc21.CN1CCOc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C15H21NO2.C14H19NO.C14H21N.C13H17NO2.C13H19NO.C13H17NO.C12H15NO2/c1-14(2,3)10-7-8-12-11(9-10)16(6)13(17)15(4,5)18-12;1-14(2,3)11-7-5-10-6-8-13(16)15(4)12(10)9-11;1-14(2,3)12-8-7-11-6-5-9-15(4)13(11)10-12;1-13(2,3)9-5-6-11-10(7-9)14(4)12(15)8-16-11;1-13(2,3)10-5-6-12-11(9-10)14(4)7-8-15-12;1-13(2,3)10-6-4-9-5-7-12(15)14-11(9)8-10;1-12(2,3)8-4-5-10-9(6-8)13-11(14)7-15-10/h7-9H,1-6H3;5,7,9H,6,8H2,1-4H3;7-8,10H,5-6,9H2,1-4H3;5-7H,8H2,1-4H3;5-6,9H,7-8H2,1-4H3;4,6,8H,5,7H2,1-3H3,(H,14,15);4-6H,7H2,1-3H3,(H,13,14)
InChIKeySOGTVMXSROBXQD-UHFFFAOYSA-N
MW1501.11 g/mol
LogP19.71
Rot. Bonds

About 6-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-4-methyl-1,4-benzoxazin-3-one;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;7-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;6-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one

6-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-4-methyl-1,4-benzoxazin-3-one;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;7-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;6-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one (PubChem CID 160891063) has the molecular formula C94H129N7O9 and a molecular weight of 1501.11 g/mol. Its IUPAC name is 6-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-4-methyl-1,4-benzoxazin-3-one;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;7-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;6-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-4-methyl-1,4-benzoxazin-3-one;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;7-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;6-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one
PubChem CID160891063
Molecular FormulaC94H129N7O9
Molecular Weight1501.11 g/mol
Exact Mass1499.99
IUPAC Name6-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-4-methyl-1,4-benzoxazin-3-one;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;7-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;6-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one
SMILESCC(C)(C)c1ccc2c(c1)NC(=O)CC2.CC(C)(C)c1ccc2c(c1)NC(=O)CO2.CN1C(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc21.CN1C(=O)CCc2ccc(C(C)(C)C)cc21.CN1C(=O)COc2ccc(C(C)(C)C)cc21.CN1CCCc2ccc(C(C)(C)C)cc21.CN1CCOc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C15H21NO2.C14H19NO.C14H21N.C13H17NO2.C13H19NO.C13H17NO.C12H15NO2/c1-14(2,3)10-7-8-12-11(9-10)16(6)13(17)15(4,5)18-12;1-14(2,3)11-7-5-10-6-8-13(16)15(4)12(10)9-11;1-14(2,3)12-8-7-11-6-5-9-15(4)13(11)10-12;1-13(2,3)9-5-6-11-10(7-9)14(4)12(15)8-16-11;1-13(2,3)10-5-6-12-11(9-10)14(4)7-8-15-12;1-13(2,3)10-6-4-9-5-7-12(15)14-11(9)8-10;1-12(2,3)8-4-5-10-9(6-8)13-11(14)7-15-10/h7-9H,1-6H3;5,7,9H,6,8H2,1-4H3;7-8,10H,5-6,9H2,1-4H3;5-7H,8H2,1-4H3;5-6,9H,7-8H2,1-4H3;4,6,8H,5,7H2,1-3H3,(H,14,15);4-6H,7H2,1-3H3,(H,13,14)
InChIKeySOGTVMXSROBXQD-UHFFFAOYSA-N
XLogP19.71
TPSA162.53 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001501.11
LogP ≤ 519.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-4-methyl-1,4-benzoxazin-3-one;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;7-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;6-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-4-methyl-1,4-benzoxazin-3-one;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;7-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;6-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-4-methyl-1,4-benzoxazin-3-one;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;7-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;6-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one (CID 160891063) is 6-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-4-methyl-1,4-benzoxazin-3-one;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;7-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;6-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-4-methyl-1,4-benzoxazin-3-one;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;7-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;6-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-4-methyl-1,4-benzoxazin-3-one;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;7-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;6-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one is CC(C)(C)c1ccc2c(c1)NC(=O)CC2.CC(C)(C)c1ccc2c(c1)NC(=O)CO2.CN1C(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc21.CN1C(=O)CCc2ccc(C(C)(C)C)cc21.CN1C(=O)COc2ccc(C(C)(C)C)cc21.CN1CCCc2ccc(C(C)(C)C)cc21.CN1CCOc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 6-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-4-methyl-1,4-benzoxazin-3-one;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;7-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;6-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one?
The InChIKey is SOGTVMXSROBXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2.C14H19NO.C14H21N.C13H17NO2.C13H19NO.C13H17NO.C12H15NO2/c1-14(2,3)10-7-8-12-11(9-10)16(6)13(17)15(4,5)18-12;1-14(2,3)11-7-5-10-6-8-13(16)15(4)12(10)9-11;1-14(2,3)12-8-7-11-6-5-9-15(4)13(11)10-12;1-13(2,3)9-5-6-11-10(7-9)14(4)12(15)8-16-11;1-13(2,3)10-5-6-12-11(9-10)14(4)7-8-15-12;1-13(2,3)10-6-4-9-5-7-12(15)14-11(9)8-10;1-12(2,3)8-4-5-10-9(6-8)13-11(14)7-15-10/h7-9H,1-6H3;5,7,9H,6,8H2,1-4H3;7-8,10H,5-6,9H2,1-4H3;5-7H,8H2,1-4H3;5-6,9H,7-8H2,1-4H3;4,6,8H,5,7H2,1-3H3,(H,14,15);4-6H,7H2,1-3H3,(H,13,14).
What are the key properties of 6-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-4-methyl-1,4-benzoxazin-3-one;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;7-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;6-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one?
6-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-4-methyl-1,4-benzoxazin-3-one;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;7-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;6-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one has a molecular weight of 1501.11 g/mol, XLogP of 19.71, 0 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-4-methyl-1,4-benzoxazin-3-one;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;7-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;7-tert-butyl-1-methyl-3,4-dihydroquinolin-2-one;6-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 160891063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).