5-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);methane;3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydroquinolin-2-one

C59H94N4O4 — CID 161138624

About 5-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);methane;3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydroquinolin-2-one

5-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);methane;3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 161138624) has the molecular formula C59H94N4O4 and a molecular weight of 923.42 g/mol. Its IUPAC name is 5-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);methane;3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

• Compound Name: 5-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);methane;3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydroquinolin-2-one
• PubChem CID: 161138624
• Molecular Formula: C59H94N4O4
• Molecular Weight: 923.42 g/mol
• Exact Mass: 922.73
• IUPAC Name: 5-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);methane;3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydroquinolin-2-one
• SMILES: C.C.C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1cccc2c1OC1(CC1)CN2.CN1C(=O)CCc2ccccc21.CN1CCCc2c1cccc2C(C)(C)C.Cn1c(=O)oc2ccccc21
• InChI: InChI=1S/C14H19NO.C14H21N.C10H11NO.C8H7NO2.2C5H12.3CH4/c1-13(2,3)10-5-4-6-11-12(10)16-14(7-8-14)9-15-11;1-14(2,3)12-8-5-9-13-11(12)7-6-10-15(13)4;1-11-9-5-3-2-4-8(9)6-7-10(11)12;1-9-6-4-2-3-5-7(6)11-8(9)10;2*1-5(2,3)4;;;/h4-6,15H,7-9H2,1-3H3;5,8-9H,6-7,10H2,1-4H3;2-5H,6-7H2,1H3;2-5H,1H3;2*1-4H3;3*1H4
• InChIKey: UNDCJKXKLOUZDE-UHFFFAOYSA-N
• XLogP: 15.43
• TPSA: 79.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	923.42
LogP ≤ 5	15.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);methane;3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydroquinolin-2-one?

The IUPAC name of 5-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);methane;3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydroquinolin-2-one (CID 161138624) is 5-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);methane;3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydroquinolin-2-one.

What is the SMILES notation for 5-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);methane;3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydroquinolin-2-one?

The canonical SMILES for 5-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);methane;3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydroquinolin-2-one is C.C.C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1cccc2c1OC1(CC1)CN2.CN1C(=O)CCc2ccccc21.CN1CCCc2c1cccc2C(C)(C)C.Cn1c(=O)oc2ccccc21.

What is the InChIKey of 5-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);methane;3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydroquinolin-2-one?

The InChIKey is UNDCJKXKLOUZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.C14H21N.C10H11NO.C8H7NO2.2C5H12.3CH4/c1-13(2,3)10-5-4-6-11-12(10)16-14(7-8-14)9-15-11;1-14(2,3)12-8-5-9-13-11(12)7-6-10-15(13)4;1-11-9-5-3-2-4-8(9)6-7-10(11)12;1-9-6-4-2-3-5-7(6)11-8(9)10;2*1-5(2,3)4;;;/h4-6,15H,7-9H2,1-3H3;5,8-9H,6-7,10H2,1-4H3;2-5H,6-7H2,1H3;2-5H,1H3;2*1-4H3;3*1H4.

What are the key properties of 5-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);methane;3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydroquinolin-2-one?

5-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);methane;3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 923.42 g/mol, XLogP of 15.43, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;8-tert-butylspiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane];bis(2,2-dimethylpropane);methane;3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 161138624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).