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-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;7-tert-butyl-1-methylquinolin-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one;7-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one;methane;1-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline

C163H224N12O14 — CID 158109306

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-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;7-tert-butyl-1-methylquinolin-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one;7-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one;methane;1-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline

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-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;7-tert-butyl-1-methylquinolin-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one;7-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one;methane;1-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline (PubChem CID 158109306) has the molecular formula C163H224N12O14 and a molecular weight of 2575.65 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-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;7-tert-butyl-1-methylquinolin-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one;7-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one;methane;1-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline.

Molecular Properties

• Compound Name: 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-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;7-tert-butyl-1-methylquinolin-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one;7-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one;methane;1-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline
• PubChem CID: 158109306
• Molecular Formula: C163H224N12O14
• Molecular Weight: 2575.65 g/mol
• Exact Mass: 2573.72
• IUPAC Name: 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-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;7-tert-butyl-1-methylquinolin-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one;7-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one;methane;1-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline
• SMILES: C.CC(C)(C)c1ccc2c(c1)NC(=O)CC2.CC(C)(C)c1ccc2c(c1)NC(=O)CO2.CC(C)(C)c1ccc2ccc(=O)[nH]c2c1.CC(C)c1ccc2c(c1)CCCN2C.CN1C(=O)C(C)(C)Oc2cc(C(C)(C)C)ccc21.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.CN1CCOc2cc(C(C)(C)C)ccc21.CN1CCOc2ccc(C(C)(C)C)cc21.Cn1c(=O)ccc2ccc(C(C)(C)C)cc21
• InChI: InChI=1S/2C15H21NO2.C14H19NO.C14H17NO.C14H21N.C13H17NO2.2C13H19NO.C13H17NO.C13H15NO.C13H19N.C12H15NO2.CH4/c1-14(2,3)10-7-8-12-11(9-10)16(6)13(17)15(4,5)18-12;1-14(2,3)10-7-8-11-12(9-10)18-15(4,5)13(17)16(11)6;2*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)10-5-6-11-12(9-10)15-8-7-14(11)4;2*1-13(2,3)10-6-4-9-5-7-12(15)14-11(9)8-10;1-10(2)11-6-7-13-12(9-11)5-4-8-14(13)3;1-12(2,3)8-4-5-10-9(6-8)13-11(14)7-15-10;/h2*7-9H,1-6H3;5,7,9H,6,8H2,1-4H3;5-9H,1-4H3;7-8,10H,5-6,9H2,1-4H3;5-7H,8H2,1-4H3;2*5-6,9H,7-8H2,1-4H3;4,6,8H,5,7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);6-7,9-10H,4-5,8H2,1-3H3;4-6H,7H2,1-3H3,(H,13,14);1H4
• InChIKey: FQFOWAAETCHDCP-UHFFFAOYSA-N
• XLogP: 35.13
• TPSA: 262.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 1
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2575.65
LogP ≤ 5	35.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

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-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;7-tert-butyl-1-methylquinolin-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one;7-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one;methane;1-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline?

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-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;7-tert-butyl-1-methylquinolin-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one;7-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one;methane;1-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline (CID 158109306) 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-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;7-tert-butyl-1-methylquinolin-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one;7-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one;methane;1-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline.

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-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;7-tert-butyl-1-methylquinolin-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one;7-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one;methane;1-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline?

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-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;7-tert-butyl-1-methylquinolin-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one;7-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one;methane;1-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline is C.CC(C)(C)c1ccc2c(c1)NC(=O)CC2.CC(C)(C)c1ccc2c(c1)NC(=O)CO2.CC(C)(C)c1ccc2ccc(=O)[nH]c2c1.CC(C)c1ccc2c(c1)CCCN2C.CN1C(=O)C(C)(C)Oc2cc(C(C)(C)C)ccc21.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.CN1CCOc2cc(C(C)(C)C)ccc21.CN1CCOc2ccc(C(C)(C)C)cc21.Cn1c(=O)ccc2ccc(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-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;7-tert-butyl-1-methylquinolin-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one;7-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one;methane;1-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline?

The InChIKey is FQFOWAAETCHDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H21NO2.C14H19NO.C14H17NO.C14H21N.C13H17NO2.2C13H19NO.C13H17NO.C13H15NO.C13H19N.C12H15NO2.CH4/c1-14(2,3)10-7-8-12-11(9-10)16(6)13(17)15(4,5)18-12;1-14(2,3)10-7-8-11-12(9-10)18-15(4,5)13(17)16(11)6;2*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)10-5-6-11-12(9-10)15-8-7-14(11)4;2*1-13(2,3)10-6-4-9-5-7-12(15)14-11(9)8-10;1-10(2)11-6-7-13-12(9-11)5-4-8-14(13)3;1-12(2,3)8-4-5-10-9(6-8)13-11(14)7-15-10;/h2*7-9H,1-6H3;5,7,9H,6,8H2,1-4H3;5-9H,1-4H3;7-8,10H,5-6,9H2,1-4H3;5-7H,8H2,1-4H3;2*5-6,9H,7-8H2,1-4H3;4,6,8H,5,7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);6-7,9-10H,4-5,8H2,1-3H3;4-6H,7H2,1-3H3,(H,13,14);1H4.

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-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;7-tert-butyl-1-methylquinolin-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one;7-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one;methane;1-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline?

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-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;7-tert-butyl-1-methylquinolin-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one;7-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one;methane;1-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline has a molecular weight of 2575.65 g/mol, XLogP of 35.13, 1 rotatable bonds, 3 hydrogen bond donors, and 19 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-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;7-tert-butyl-1-methylquinolin-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one;7-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one;methane;1-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 158109306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).