2-tert-butyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazin-3-one;3-tert-butyl-1-methyl-5,6,7,8-tetrahydroquinoxalin-2-one;1-chloro-3-fluoro-5-isocyano-2-propan-2-ylbenzene;1,3-dimethoxy-2-propan-2-ylbenzene;4,5-dimethyl-2-propan-2-ylpyrimidine;5-(ethoxymethyl)-1,3-dimethoxy-2-propan-2-ylbenzene;5-fluoro-1,3-dimethoxy-2-propan-2-ylbenzene;tris(6-fluoro-1,4-dimethyl-3-propan-2-ylquinolin-2-one);1-fluoro-3-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;5-fluoro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;4-methoxy-1-methyl-3-propan-2-ylquinolin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;1-methyl-3-propan-2-ylquinolin-2-one

C213H275ClF12N14O21 — CID 164968870

IUPAC2-tert-butyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazin-3-one;3-tert-butyl-1-methyl-5,6,7,8-tetrahydroquinoxalin-2-one;1-chloro-3-fluoro-5-isocyano-2-propan-2-ylbenzene;1,3-dimethoxy-2-propan-2-ylbenzene;4,5-dimethyl-2-propan-2-ylpyrimidine;5-(ethoxymethyl)-1,3-dimethoxy-2-propan-2-ylbenzene;5-fluoro-1,3-dimethoxy-2-propan-2-ylbenzene;tris(6-fluoro-1,4-dimethyl-3-propan-2-ylquinolin-2-one);1-fluoro-3-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;5-fluoro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;4-methoxy-1-methyl-3-propan-2-ylquinolin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;1-methyl-3-propan-2-ylquinolin-2-one
SMILESCC(C)c1cc2ccccc2n(C)c1=O.CC(C)c1cc2cnccc2n(C)c1=O.CCOCc1cc(OC)c(C(C)C)c(OC)c1.COc1c(C(C)C)c(=O)n(C)c2ccccc12.COc1cc(F)cc(C(F)(F)F)c1C(C)C.COc1cc(F)cc(OC)c1C(C)C.COc1cc(F)ccc1C(C)C.COc1ccc(F)cc1C(C)C.COc1cccc(C)c1C(C)C.COc1cccc(F)c1C(C)C.COc1cccc(OC)c1C(C)C.Cc1c(C(C)C)c(=O)n(C)c2ccc(F)cc12.Cc1c(C(C)C)c(=O)n(C)c2ccc(F)cc12.Cc1c(C(C)C)c(=O)n(C)c2ccc(F)cc12.Cc1cnc(C(C)C)nc1C.Cn1c2c(nc(C(C)(C)C)c1=O)CCC2.Cn1c2c(nc(C(C)(C)C)c1=O)CCCC2.[C-]#[N+]c1cc(F)c(C(C)C)c(Cl)c1
InChIInChI=1S/3C14H16FNO.C14H17NO2.C14H22O3.C13H20N2O.C13H15NO.C12H18N2O.C12H14N2O.C11H12F4O.C11H15FO2.C11H16O2.C11H16O.C10H9ClFN.3C10H13FO.C9H14N2/c3*1-8(2)13-9(3)11-7-10(15)5-6-12(11)16(4)14(13)17;1-9(2)12-13(17-4)10-7-5-6-8-11(10)15(3)14(12)16;1-6-17-9-11-7-12(15-4)14(10(2)3)13(8-11)16-5;1-13(2,3)11-12(16)15(4)10-8-6-5-7-9(10)14-11;1-9(2)11-8-10-6-4-5-7-12(10)14(3)13(11)15;1-12(2,3)10-11(15)14(4)9-7-5-6-8(9)13-10;1-8(2)10-6-9-7-13-5-4-11(9)14(3)12(10)15;1-6(2)10-8(11(13,14)15)4-7(12)5-9(10)16-3;1-7(2)11-9(13-3)5-8(12)6-10(11)14-4;1-8(2)11-9(12-3)6-5-7-10(11)13-4;1-8(2)11-9(3)6-5-7-10(11)12-4;1-6(2)10-8(11)4-7(13-3)5-9(10)12;1-7(2)9-6-8(11)4-5-10(9)12-3;1-7(2)9-5-4-8(11)6-10(9)12-3;1-7(2)10-8(11)5-4-6-9(10)12-3;1-6(2)9-10-5-7(3)8(4)11-9/h3*5-8H,1-4H3;5-9H,1-4H3;7-8,10H,6,9H2,1-5H3;5-8H2,1-4H3;4-9H,1-3H3;5-7H2,1-4H3;4-8H,1-3H3;4-6H,1-3H3;5-7H,1-4H3;5-8H,1-4H3;5-8H,1-4H3;4-6H,1-2H3;3*4-7H,1-3H3;5-6H,1-4H3
InChIKeyCVPYMXMGUYGIAE-UHFFFAOYSA-N
MW3631.05 g/mol
LogP51.74
Rot. Bonds31

About 2-tert-butyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazin-3-one;3-tert-butyl-1-methyl-5,6,7,8-tetrahydroquinoxalin-2-one;1-chloro-3-fluoro-5-isocyano-2-propan-2-ylbenzene;1,3-dimethoxy-2-propan-2-ylbenzene;4,5-dimethyl-2-propan-2-ylpyrimidine;5-(ethoxymethyl)-1,3-dimethoxy-2-propan-2-ylbenzene;5-fluoro-1,3-dimethoxy-2-propan-2-ylbenzene;tris(6-fluoro-1,4-dimethyl-3-propan-2-ylquinolin-2-one);1-fluoro-3-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;5-fluoro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;4-methoxy-1-methyl-3-propan-2-ylquinolin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;1-methyl-3-propan-2-ylquinolin-2-one

2-tert-butyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazin-3-one;3-tert-butyl-1-methyl-5,6,7,8-tetrahydroquinoxalin-2-one;1-chloro-3-fluoro-5-isocyano-2-propan-2-ylbenzene;1,3-dimethoxy-2-propan-2-ylbenzene;4,5-dimethyl-2-propan-2-ylpyrimidine;5-(ethoxymethyl)-1,3-dimethoxy-2-propan-2-ylbenzene;5-fluoro-1,3-dimethoxy-2-propan-2-ylbenzene;tris(6-fluoro-1,4-dimethyl-3-propan-2-ylquinolin-2-one);1-fluoro-3-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;5-fluoro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;4-methoxy-1-methyl-3-propan-2-ylquinolin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;1-methyl-3-propan-2-ylquinolin-2-one (PubChem CID 164968870) has the molecular formula C213H275ClF12N14O21 and a molecular weight of 3631.05 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazin-3-one;3-tert-butyl-1-methyl-5,6,7,8-tetrahydroquinoxalin-2-one;1-chloro-3-fluoro-5-isocyano-2-propan-2-ylbenzene;1,3-dimethoxy-2-propan-2-ylbenzene;4,5-dimethyl-2-propan-2-ylpyrimidine;5-(ethoxymethyl)-1,3-dimethoxy-2-propan-2-ylbenzene;5-fluoro-1,3-dimethoxy-2-propan-2-ylbenzene;tris(6-fluoro-1,4-dimethyl-3-propan-2-ylquinolin-2-one);1-fluoro-3-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;5-fluoro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;4-methoxy-1-methyl-3-propan-2-ylquinolin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;1-methyl-3-propan-2-ylquinolin-2-one.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazin-3-one;3-tert-butyl-1-methyl-5,6,7,8-tetrahydroquinoxalin-2-one;1-chloro-3-fluoro-5-isocyano-2-propan-2-ylbenzene;1,3-dimethoxy-2-propan-2-ylbenzene;4,5-dimethyl-2-propan-2-ylpyrimidine;5-(ethoxymethyl)-1,3-dimethoxy-2-propan-2-ylbenzene;5-fluoro-1,3-dimethoxy-2-propan-2-ylbenzene;tris(6-fluoro-1,4-dimethyl-3-propan-2-ylquinolin-2-one);1-fluoro-3-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;5-fluoro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;4-methoxy-1-methyl-3-propan-2-ylquinolin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;1-methyl-3-propan-2-ylquinolin-2-one
PubChem CID164968870
Molecular FormulaC213H275ClF12N14O21
Molecular Weight3631.05 g/mol
Exact Mass3628.04
IUPAC Name2-tert-butyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazin-3-one;3-tert-butyl-1-methyl-5,6,7,8-tetrahydroquinoxalin-2-one;1-chloro-3-fluoro-5-isocyano-2-propan-2-ylbenzene;1,3-dimethoxy-2-propan-2-ylbenzene;4,5-dimethyl-2-propan-2-ylpyrimidine;5-(ethoxymethyl)-1,3-dimethoxy-2-propan-2-ylbenzene;5-fluoro-1,3-dimethoxy-2-propan-2-ylbenzene;tris(6-fluoro-1,4-dimethyl-3-propan-2-ylquinolin-2-one);1-fluoro-3-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;5-fluoro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;4-methoxy-1-methyl-3-propan-2-ylquinolin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;1-methyl-3-propan-2-ylquinolin-2-one
SMILESCC(C)c1cc2ccccc2n(C)c1=O.CC(C)c1cc2cnccc2n(C)c1=O.CCOCc1cc(OC)c(C(C)C)c(OC)c1.COc1c(C(C)C)c(=O)n(C)c2ccccc12.COc1cc(F)cc(C(F)(F)F)c1C(C)C.COc1cc(F)cc(OC)c1C(C)C.COc1cc(F)ccc1C(C)C.COc1ccc(F)cc1C(C)C.COc1cccc(C)c1C(C)C.COc1cccc(F)c1C(C)C.COc1cccc(OC)c1C(C)C.Cc1c(C(C)C)c(=O)n(C)c2ccc(F)cc12.Cc1c(C(C)C)c(=O)n(C)c2ccc(F)cc12.Cc1c(C(C)C)c(=O)n(C)c2ccc(F)cc12.Cc1cnc(C(C)C)nc1C.Cn1c2c(nc(C(C)(C)C)c1=O)CCC2.Cn1c2c(nc(C(C)(C)C)c1=O)CCCC2.[C-]#[N+]c1cc(F)c(C(C)C)c(Cl)c1
InChIInChI=1S/3C14H16FNO.C14H17NO2.C14H22O3.C13H20N2O.C13H15NO.C12H18N2O.C12H14N2O.C11H12F4O.C11H15FO2.C11H16O2.C11H16O.C10H9ClFN.3C10H13FO.C9H14N2/c3*1-8(2)13-9(3)11-7-10(15)5-6-12(11)16(4)14(13)17;1-9(2)12-13(17-4)10-7-5-6-8-11(10)15(3)14(12)16;1-6-17-9-11-7-12(15-4)14(10(2)3)13(8-11)16-5;1-13(2,3)11-12(16)15(4)10-8-6-5-7-9(10)14-11;1-9(2)11-8-10-6-4-5-7-12(10)14(3)13(11)15;1-12(2,3)10-11(15)14(4)9-7-5-6-8(9)13-10;1-8(2)10-6-9-7-13-5-4-11(9)14(3)12(10)15;1-6(2)10-8(11(13,14)15)4-7(12)5-9(10)16-3;1-7(2)11-9(13-3)5-8(12)6-10(11)14-4;1-8(2)11-9(12-3)6-5-7-10(11)13-4;1-8(2)11-9(3)6-5-7-10(11)12-4;1-6(2)10-8(11)4-7(13-3)5-9(10)12;1-7(2)9-6-8(11)4-5-10(9)12-3;1-7(2)9-5-4-8(11)6-10(9)12-3;1-7(2)10-8(11)5-4-6-9(10)12-3;1-6(2)9-10-5-7(3)8(4)11-9/h3*5-8H,1-4H3;5-9H,1-4H3;7-8,10H,6,9H2,1-5H3;5-8H2,1-4H3;4-9H,1-3H3;5-7H2,1-4H3;4-8H,1-3H3;4-6H,1-3H3;5-7H,1-4H3;5-8H,1-4H3;5-8H,1-4H3;4-6H,1-2H3;3*4-7H,1-3H3;5-6H,1-4H3
InChIKeyCVPYMXMGUYGIAE-UHFFFAOYSA-N
XLogP51.74
TPSA364.80 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds31
Heavy Atoms261
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003631.05
LogP ≤ 551.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-tert-butyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazin-3-one;3-tert-butyl-1-methyl-5,6,7,8-tetrahydroquinoxalin-2-one;1-chloro-3-fluoro-5-isocyano-2-propan-2-ylbenzene;1,3-dimethoxy-2-propan-2-ylbenzene;4,5-dimethyl-2-propan-2-ylpyrimidine;5-(ethoxymethyl)-1,3-dimethoxy-2-propan-2-ylbenzene;5-fluoro-1,3-dimethoxy-2-propan-2-ylbenzene;tris(6-fluoro-1,4-dimethyl-3-propan-2-ylquinolin-2-one);1-fluoro-3-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;5-fluoro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;4-methoxy-1-methyl-3-propan-2-ylquinolin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;1-methyl-3-propan-2-ylquinolin-2-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazin-3-one;3-tert-butyl-1-methyl-5,6,7,8-tetrahydroquinoxalin-2-one;1-chloro-3-fluoro-5-isocyano-2-propan-2-ylbenzene;1,3-dimethoxy-2-propan-2-ylbenzene;4,5-dimethyl-2-propan-2-ylpyrimidine;5-(ethoxymethyl)-1,3-dimethoxy-2-propan-2-ylbenzene;5-fluoro-1,3-dimethoxy-2-propan-2-ylbenzene;tris(6-fluoro-1,4-dimethyl-3-propan-2-ylquinolin-2-one);1-fluoro-3-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;5-fluoro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;4-methoxy-1-methyl-3-propan-2-ylquinolin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;1-methyl-3-propan-2-ylquinolin-2-one?
The IUPAC name of 2-tert-butyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazin-3-one;3-tert-butyl-1-methyl-5,6,7,8-tetrahydroquinoxalin-2-one;1-chloro-3-fluoro-5-isocyano-2-propan-2-ylbenzene;1,3-dimethoxy-2-propan-2-ylbenzene;4,5-dimethyl-2-propan-2-ylpyrimidine;5-(ethoxymethyl)-1,3-dimethoxy-2-propan-2-ylbenzene;5-fluoro-1,3-dimethoxy-2-propan-2-ylbenzene;tris(6-fluoro-1,4-dimethyl-3-propan-2-ylquinolin-2-one);1-fluoro-3-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;5-fluoro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;4-methoxy-1-methyl-3-propan-2-ylquinolin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;1-methyl-3-propan-2-ylquinolin-2-one (CID 164968870) is 2-tert-butyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazin-3-one;3-tert-butyl-1-methyl-5,6,7,8-tetrahydroquinoxalin-2-one;1-chloro-3-fluoro-5-isocyano-2-propan-2-ylbenzene;1,3-dimethoxy-2-propan-2-ylbenzene;4,5-dimethyl-2-propan-2-ylpyrimidine;5-(ethoxymethyl)-1,3-dimethoxy-2-propan-2-ylbenzene;5-fluoro-1,3-dimethoxy-2-propan-2-ylbenzene;tris(6-fluoro-1,4-dimethyl-3-propan-2-ylquinolin-2-one);1-fluoro-3-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;5-fluoro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;4-methoxy-1-methyl-3-propan-2-ylquinolin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;1-methyl-3-propan-2-ylquinolin-2-one.
What is the SMILES notation for 2-tert-butyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazin-3-one;3-tert-butyl-1-methyl-5,6,7,8-tetrahydroquinoxalin-2-one;1-chloro-3-fluoro-5-isocyano-2-propan-2-ylbenzene;1,3-dimethoxy-2-propan-2-ylbenzene;4,5-dimethyl-2-propan-2-ylpyrimidine;5-(ethoxymethyl)-1,3-dimethoxy-2-propan-2-ylbenzene;5-fluoro-1,3-dimethoxy-2-propan-2-ylbenzene;tris(6-fluoro-1,4-dimethyl-3-propan-2-ylquinolin-2-one);1-fluoro-3-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;5-fluoro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;4-methoxy-1-methyl-3-propan-2-ylquinolin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;1-methyl-3-propan-2-ylquinolin-2-one?
The canonical SMILES for 2-tert-butyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazin-3-one;3-tert-butyl-1-methyl-5,6,7,8-tetrahydroquinoxalin-2-one;1-chloro-3-fluoro-5-isocyano-2-propan-2-ylbenzene;1,3-dimethoxy-2-propan-2-ylbenzene;4,5-dimethyl-2-propan-2-ylpyrimidine;5-(ethoxymethyl)-1,3-dimethoxy-2-propan-2-ylbenzene;5-fluoro-1,3-dimethoxy-2-propan-2-ylbenzene;tris(6-fluoro-1,4-dimethyl-3-propan-2-ylquinolin-2-one);1-fluoro-3-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;5-fluoro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;4-methoxy-1-methyl-3-propan-2-ylquinolin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;1-methyl-3-propan-2-ylquinolin-2-one is CC(C)c1cc2ccccc2n(C)c1=O.CC(C)c1cc2cnccc2n(C)c1=O.CCOCc1cc(OC)c(C(C)C)c(OC)c1.COc1c(C(C)C)c(=O)n(C)c2ccccc12.COc1cc(F)cc(C(F)(F)F)c1C(C)C.COc1cc(F)cc(OC)c1C(C)C.COc1cc(F)ccc1C(C)C.COc1ccc(F)cc1C(C)C.COc1cccc(C)c1C(C)C.COc1cccc(F)c1C(C)C.COc1cccc(OC)c1C(C)C.Cc1c(C(C)C)c(=O)n(C)c2ccc(F)cc12.Cc1c(C(C)C)c(=O)n(C)c2ccc(F)cc12.Cc1c(C(C)C)c(=O)n(C)c2ccc(F)cc12.Cc1cnc(C(C)C)nc1C.Cn1c2c(nc(C(C)(C)C)c1=O)CCC2.Cn1c2c(nc(C(C)(C)C)c1=O)CCCC2.[C-]#[N+]c1cc(F)c(C(C)C)c(Cl)c1.
What is the InChIKey of 2-tert-butyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazin-3-one;3-tert-butyl-1-methyl-5,6,7,8-tetrahydroquinoxalin-2-one;1-chloro-3-fluoro-5-isocyano-2-propan-2-ylbenzene;1,3-dimethoxy-2-propan-2-ylbenzene;4,5-dimethyl-2-propan-2-ylpyrimidine;5-(ethoxymethyl)-1,3-dimethoxy-2-propan-2-ylbenzene;5-fluoro-1,3-dimethoxy-2-propan-2-ylbenzene;tris(6-fluoro-1,4-dimethyl-3-propan-2-ylquinolin-2-one);1-fluoro-3-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;5-fluoro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;4-methoxy-1-methyl-3-propan-2-ylquinolin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;1-methyl-3-propan-2-ylquinolin-2-one?
The InChIKey is CVPYMXMGUYGIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H16FNO.C14H17NO2.C14H22O3.C13H20N2O.C13H15NO.C12H18N2O.C12H14N2O.C11H12F4O.C11H15FO2.C11H16O2.C11H16O.C10H9ClFN.3C10H13FO.C9H14N2/c3*1-8(2)13-9(3)11-7-10(15)5-6-12(11)16(4)14(13)17;1-9(2)12-13(17-4)10-7-5-6-8-11(10)15(3)14(12)16;1-6-17-9-11-7-12(15-4)14(10(2)3)13(8-11)16-5;1-13(2,3)11-12(16)15(4)10-8-6-5-7-9(10)14-11;1-9(2)11-8-10-6-4-5-7-12(10)14(3)13(11)15;1-12(2,3)10-11(15)14(4)9-7-5-6-8(9)13-10;1-8(2)10-6-9-7-13-5-4-11(9)14(3)12(10)15;1-6(2)10-8(11(13,14)15)4-7(12)5-9(10)16-3;1-7(2)11-9(13-3)5-8(12)6-10(11)14-4;1-8(2)11-9(12-3)6-5-7-10(11)13-4;1-8(2)11-9(3)6-5-7-10(11)12-4;1-6(2)10-8(11)4-7(13-3)5-9(10)12;1-7(2)9-6-8(11)4-5-10(9)12-3;1-7(2)9-5-4-8(11)6-10(9)12-3;1-7(2)10-8(11)5-4-6-9(10)12-3;1-6(2)9-10-5-7(3)8(4)11-9/h3*5-8H,1-4H3;5-9H,1-4H3;7-8,10H,6,9H2,1-5H3;5-8H2,1-4H3;4-9H,1-3H3;5-7H2,1-4H3;4-8H,1-3H3;4-6H,1-3H3;5-7H,1-4H3;5-8H,1-4H3;5-8H,1-4H3;4-6H,1-2H3;3*4-7H,1-3H3;5-6H,1-4H3.
What are the key properties of 2-tert-butyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazin-3-one;3-tert-butyl-1-methyl-5,6,7,8-tetrahydroquinoxalin-2-one;1-chloro-3-fluoro-5-isocyano-2-propan-2-ylbenzene;1,3-dimethoxy-2-propan-2-ylbenzene;4,5-dimethyl-2-propan-2-ylpyrimidine;5-(ethoxymethyl)-1,3-dimethoxy-2-propan-2-ylbenzene;5-fluoro-1,3-dimethoxy-2-propan-2-ylbenzene;tris(6-fluoro-1,4-dimethyl-3-propan-2-ylquinolin-2-one);1-fluoro-3-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;5-fluoro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;4-methoxy-1-methyl-3-propan-2-ylquinolin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;1-methyl-3-propan-2-ylquinolin-2-one?
2-tert-butyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazin-3-one;3-tert-butyl-1-methyl-5,6,7,8-tetrahydroquinoxalin-2-one;1-chloro-3-fluoro-5-isocyano-2-propan-2-ylbenzene;1,3-dimethoxy-2-propan-2-ylbenzene;4,5-dimethyl-2-propan-2-ylpyrimidine;5-(ethoxymethyl)-1,3-dimethoxy-2-propan-2-ylbenzene;5-fluoro-1,3-dimethoxy-2-propan-2-ylbenzene;tris(6-fluoro-1,4-dimethyl-3-propan-2-ylquinolin-2-one);1-fluoro-3-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;5-fluoro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;4-methoxy-1-methyl-3-propan-2-ylquinolin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;1-methyl-3-propan-2-ylquinolin-2-one has a molecular weight of 3631.05 g/mol, XLogP of 51.74, 31 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazin-3-one;3-tert-butyl-1-methyl-5,6,7,8-tetrahydroquinoxalin-2-one;1-chloro-3-fluoro-5-isocyano-2-propan-2-ylbenzene;1,3-dimethoxy-2-propan-2-ylbenzene;4,5-dimethyl-2-propan-2-ylpyrimidine;5-(ethoxymethyl)-1,3-dimethoxy-2-propan-2-ylbenzene;5-fluoro-1,3-dimethoxy-2-propan-2-ylbenzene;tris(6-fluoro-1,4-dimethyl-3-propan-2-ylquinolin-2-one);1-fluoro-3-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;5-fluoro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;4-methoxy-1-methyl-3-propan-2-ylquinolin-2-one;1-methyl-3-propan-2-yl-1,6-naphthyridin-2-one;1-methyl-3-propan-2-ylquinolin-2-one is sourced from PubChem (CID 164968870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).