2,2-dimethyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;4-methyl-6-(2-methylpropyl)-1,4-benzoxazin-3-one;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;7-(2-methylpropyl)-1H-4,2λ6,1-benzoxathiazine 2,2-dioxide;7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;7-(2-methylpropyl)-2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline

C148H202F3N13O19S3 — CID 158071849

IUPAC2,2-dimethyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;4-methyl-6-(2-methylpropyl)-1,4-benzoxazin-3-one;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;7-(2-methylpropyl)-1H-4,2λ6,1-benzoxathiazine 2,2-dioxide;7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;7-(2-methylpropyl)-2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline
SMILESCC(=O)N1CCc2ccc(CC(C)C)cc2C1.CC(C)Cc1ccc2c(c1)CN(C(N)=O)CC2.CC(C)Cc1ccc2c(c1)CN(S(=O)(=O)C(F)(F)F)CC2.CC(C)Cc1ccc2c(c1)CN(S(C)(=O)=O)CC2.CC(C)Cc1ccc2c(c1)N(C)C(=O)CO2.CC(C)Cc1ccc2c(c1)NC(=O)C(C)(C)O2.CC(C)Cc1ccc2c(c1)NC(=O)C(C)O2.CC(C)Cc1ccc2c(c1)NC(=O)CC2.CC(C)Cc1ccc2c(c1)NS(=O)(=O)CO2.CC(C)Cc1ccc2oc(=O)n(C)c2c1.CNC(=O)N1CCc2ccc(CC(C)C)cc2C1
InChIInChI=1S/C15H22N2O.C15H21NO.C14H18F3NO2S.C14H20N2O.C14H21NO2S.C14H19NO2.2C13H17NO2.C13H17NO.C12H15NO2.C11H15NO3S/c1-11(2)8-12-4-5-13-6-7-17(15(18)16-3)10-14(13)9-12;1-11(2)8-13-4-5-14-6-7-16(12(3)17)10-15(14)9-13;1-10(2)7-11-3-4-12-5-6-18(9-13(12)8-11)21(19,20)14(15,16)17;1-10(2)7-11-3-4-12-5-6-16(14(15)17)9-13(12)8-11;1-11(2)8-12-4-5-13-6-7-15(18(3,16)17)10-14(13)9-12;1-9(2)7-10-5-6-12-11(8-10)15-13(16)14(3,4)17-12;1-9(2)6-10-4-5-12-11(7-10)14(3)13(15)8-16-12;1-8(2)6-10-4-5-12-11(7-10)14-13(15)9(3)16-12;1-9(2)7-10-3-4-11-5-6-13(15)14-12(11)8-10;1-8(2)6-9-4-5-11-10(7-9)13(3)12(14)15-11;1-8(2)5-9-3-4-11-10(6-9)12-16(13,14)7-15-11/h4-5,9,11H,6-8,10H2,1-3H3,(H,16,18);4-5,9,11H,6-8,10H2,1-3H3;3-4,8,10H,5-7,9H2,1-2H3;3-4,8,10H,5-7,9H2,1-2H3,(H2,15,17);4-5,9,11H,6-8,10H2,1-3H3;5-6,8-9H,7H2,1-4H3,(H,15,16);4-5,7,9H,6,8H2,1-3H3;4-5,7-9H,6H2,1-3H3,(H,14,15);3-4,8-9H,5-7H2,1-2H3,(H,14,15);4-5,7-8H,6H2,1-3H3;3-4,6,8,12H,5,7H2,1-2H3
InChIKeyFLXKFAWSCOJXCU-UHFFFAOYSA-N
MW2620.51 g/mol
LogP27.91
Rot. Bonds24

About 2,2-dimethyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;4-methyl-6-(2-methylpropyl)-1,4-benzoxazin-3-one;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;7-(2-methylpropyl)-1H-4,2λ6,1-benzoxathiazine 2,2-dioxide;7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;7-(2-methylpropyl)-2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline

2,2-dimethyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;4-methyl-6-(2-methylpropyl)-1,4-benzoxazin-3-one;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;7-(2-methylpropyl)-1H-4,2λ6,1-benzoxathiazine 2,2-dioxide;7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;7-(2-methylpropyl)-2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 158071849) has the molecular formula C148H202F3N13O19S3 and a molecular weight of 2620.51 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;4-methyl-6-(2-methylpropyl)-1,4-benzoxazin-3-one;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;7-(2-methylpropyl)-1H-4,2λ6,1-benzoxathiazine 2,2-dioxide;7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;7-(2-methylpropyl)-2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2,2-dimethyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;4-methyl-6-(2-methylpropyl)-1,4-benzoxazin-3-one;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;7-(2-methylpropyl)-1H-4,2λ6,1-benzoxathiazine 2,2-dioxide;7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;7-(2-methylpropyl)-2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline
PubChem CID158071849
Molecular FormulaC148H202F3N13O19S3
Molecular Weight2620.51 g/mol
Exact Mass2618.44
IUPAC Name2,2-dimethyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;4-methyl-6-(2-methylpropyl)-1,4-benzoxazin-3-one;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;7-(2-methylpropyl)-1H-4,2λ6,1-benzoxathiazine 2,2-dioxide;7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;7-(2-methylpropyl)-2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline
SMILESCC(=O)N1CCc2ccc(CC(C)C)cc2C1.CC(C)Cc1ccc2c(c1)CN(C(N)=O)CC2.CC(C)Cc1ccc2c(c1)CN(S(=O)(=O)C(F)(F)F)CC2.CC(C)Cc1ccc2c(c1)CN(S(C)(=O)=O)CC2.CC(C)Cc1ccc2c(c1)N(C)C(=O)CO2.CC(C)Cc1ccc2c(c1)NC(=O)C(C)(C)O2.CC(C)Cc1ccc2c(c1)NC(=O)C(C)O2.CC(C)Cc1ccc2c(c1)NC(=O)CC2.CC(C)Cc1ccc2c(c1)NS(=O)(=O)CO2.CC(C)Cc1ccc2oc(=O)n(C)c2c1.CNC(=O)N1CCc2ccc(CC(C)C)cc2C1
InChIInChI=1S/C15H22N2O.C15H21NO.C14H18F3NO2S.C14H20N2O.C14H21NO2S.C14H19NO2.2C13H17NO2.C13H17NO.C12H15NO2.C11H15NO3S/c1-11(2)8-12-4-5-13-6-7-17(15(18)16-3)10-14(13)9-12;1-11(2)8-13-4-5-14-6-7-16(12(3)17)10-15(14)9-13;1-10(2)7-11-3-4-12-5-6-18(9-13(12)8-11)21(19,20)14(15,16)17;1-10(2)7-11-3-4-12-5-6-16(14(15)17)9-13(12)8-11;1-11(2)8-12-4-5-13-6-7-15(18(3,16)17)10-14(13)9-12;1-9(2)7-10-5-6-12-11(8-10)15-13(16)14(3,4)17-12;1-9(2)6-10-4-5-12-11(7-10)14(3)13(15)8-16-12;1-8(2)6-10-4-5-12-11(7-10)14-13(15)9(3)16-12;1-9(2)7-10-3-4-11-5-6-13(15)14-12(11)8-10;1-8(2)6-9-4-5-11-10(7-9)13(3)12(14)15-11;1-8(2)5-9-3-4-11-10(6-9)12-16(13,14)7-15-11/h4-5,9,11H,6-8,10H2,1-3H3,(H,16,18);4-5,9,11H,6-8,10H2,1-3H3;3-4,8,10H,5-7,9H2,1-2H3;3-4,8,10H,5-7,9H2,1-2H3,(H2,15,17);4-5,9,11H,6-8,10H2,1-3H3;5-6,8-9H,7H2,1-4H3,(H,15,16);4-5,7,9H,6,8H2,1-3H3;4-5,7-9H,6H2,1-3H3,(H,14,15);3-4,8-9H,5-7H2,1-2H3,(H,14,15);4-5,7-8H,6H2,1-3H3;3-4,6,8,12H,5,7H2,1-2H3
InChIKeyFLXKFAWSCOJXCU-UHFFFAOYSA-N
XLogP27.91
TPSA399.58 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002620.51
LogP ≤ 527.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze 2,2-dimethyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;4-methyl-6-(2-methylpropyl)-1,4-benzoxazin-3-one;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;7-(2-methylpropyl)-1H-4,2λ6,1-benzoxathiazine 2,2-dioxide;7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;7-(2-methylpropyl)-2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;4-methyl-6-(2-methylpropyl)-1,4-benzoxazin-3-one;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;7-(2-methylpropyl)-1H-4,2λ6,1-benzoxathiazine 2,2-dioxide;7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;7-(2-methylpropyl)-2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2,2-dimethyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;4-methyl-6-(2-methylpropyl)-1,4-benzoxazin-3-one;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;7-(2-methylpropyl)-1H-4,2λ6,1-benzoxathiazine 2,2-dioxide;7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;7-(2-methylpropyl)-2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline (CID 158071849) is 2,2-dimethyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;4-methyl-6-(2-methylpropyl)-1,4-benzoxazin-3-one;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;7-(2-methylpropyl)-1H-4,2λ6,1-benzoxathiazine 2,2-dioxide;7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;7-(2-methylpropyl)-2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2,2-dimethyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;4-methyl-6-(2-methylpropyl)-1,4-benzoxazin-3-one;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;7-(2-methylpropyl)-1H-4,2λ6,1-benzoxathiazine 2,2-dioxide;7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;7-(2-methylpropyl)-2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2,2-dimethyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;4-methyl-6-(2-methylpropyl)-1,4-benzoxazin-3-one;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;7-(2-methylpropyl)-1H-4,2λ6,1-benzoxathiazine 2,2-dioxide;7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;7-(2-methylpropyl)-2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline is CC(=O)N1CCc2ccc(CC(C)C)cc2C1.CC(C)Cc1ccc2c(c1)CN(C(N)=O)CC2.CC(C)Cc1ccc2c(c1)CN(S(=O)(=O)C(F)(F)F)CC2.CC(C)Cc1ccc2c(c1)CN(S(C)(=O)=O)CC2.CC(C)Cc1ccc2c(c1)N(C)C(=O)CO2.CC(C)Cc1ccc2c(c1)NC(=O)C(C)(C)O2.CC(C)Cc1ccc2c(c1)NC(=O)C(C)O2.CC(C)Cc1ccc2c(c1)NC(=O)CC2.CC(C)Cc1ccc2c(c1)NS(=O)(=O)CO2.CC(C)Cc1ccc2oc(=O)n(C)c2c1.CNC(=O)N1CCc2ccc(CC(C)C)cc2C1.
What is the InChIKey of 2,2-dimethyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;4-methyl-6-(2-methylpropyl)-1,4-benzoxazin-3-one;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;7-(2-methylpropyl)-1H-4,2λ6,1-benzoxathiazine 2,2-dioxide;7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;7-(2-methylpropyl)-2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is FLXKFAWSCOJXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.C15H21NO.C14H18F3NO2S.C14H20N2O.C14H21NO2S.C14H19NO2.2C13H17NO2.C13H17NO.C12H15NO2.C11H15NO3S/c1-11(2)8-12-4-5-13-6-7-17(15(18)16-3)10-14(13)9-12;1-11(2)8-13-4-5-14-6-7-16(12(3)17)10-15(14)9-13;1-10(2)7-11-3-4-12-5-6-18(9-13(12)8-11)21(19,20)14(15,16)17;1-10(2)7-11-3-4-12-5-6-16(14(15)17)9-13(12)8-11;1-11(2)8-12-4-5-13-6-7-15(18(3,16)17)10-14(13)9-12;1-9(2)7-10-5-6-12-11(8-10)15-13(16)14(3,4)17-12;1-9(2)6-10-4-5-12-11(7-10)14(3)13(15)8-16-12;1-8(2)6-10-4-5-12-11(7-10)14-13(15)9(3)16-12;1-9(2)7-10-3-4-11-5-6-13(15)14-12(11)8-10;1-8(2)6-9-4-5-11-10(7-9)13(3)12(14)15-11;1-8(2)5-9-3-4-11-10(6-9)12-16(13,14)7-15-11/h4-5,9,11H,6-8,10H2,1-3H3,(H,16,18);4-5,9,11H,6-8,10H2,1-3H3;3-4,8,10H,5-7,9H2,1-2H3;3-4,8,10H,5-7,9H2,1-2H3,(H2,15,17);4-5,9,11H,6-8,10H2,1-3H3;5-6,8-9H,7H2,1-4H3,(H,15,16);4-5,7,9H,6,8H2,1-3H3;4-5,7-9H,6H2,1-3H3,(H,14,15);3-4,8-9H,5-7H2,1-2H3,(H,14,15);4-5,7-8H,6H2,1-3H3;3-4,6,8,12H,5,7H2,1-2H3.
What are the key properties of 2,2-dimethyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;4-methyl-6-(2-methylpropyl)-1,4-benzoxazin-3-one;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;7-(2-methylpropyl)-1H-4,2λ6,1-benzoxathiazine 2,2-dioxide;7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;7-(2-methylpropyl)-2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline?
2,2-dimethyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;4-methyl-6-(2-methylpropyl)-1,4-benzoxazin-3-one;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;7-(2-methylpropyl)-1H-4,2λ6,1-benzoxathiazine 2,2-dioxide;7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;7-(2-methylpropyl)-2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 2620.51 g/mol, XLogP of 27.91, 24 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;4-methyl-6-(2-methylpropyl)-1,4-benzoxazin-3-one;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;7-(2-methylpropyl)-1H-4,2λ6,1-benzoxathiazine 2,2-dioxide;7-(2-methylpropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline;7-(2-methylpropyl)-2-(trifluoromethylsulfonyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 158071849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).