1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one;3-methylidene-1-propan-2-yl-4H-quinoxalin-2-one;1-oxido-2-propan-2-ylbenzotriazol-1-ium;1-oxido-2-propan-2-ylindazol-1-ium;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-1,2,3-benzotriazin-4-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-isoindol-1-one;1-propan-2-ylnaphthalene;2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one;2-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C212H240N26O19S — CID 165015480

IUPAC1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one;3-methylidene-1-propan-2-yl-4H-quinoxalin-2-one;1-oxido-2-propan-2-ylbenzotriazol-1-ium;1-oxido-2-propan-2-ylindazol-1-ium;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-1,2,3-benzotriazin-4-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-isoindol-1-one;1-propan-2-ylnaphthalene;2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one;2-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESC=C1Nc2ccccc2N(C(C)C)C1=O.CC(C)C1=CCC2=C1C(=O)C=CC2=O.CC(C)C1=NC2=C(CC(=O)NC2=O)C1.CC(C)N1C(=O)c2ccccc2S1(=O)=O.CC(C)N1Cc2ccccc2C1=O.CC(C)c1cc(=O)n2ccccc2n1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc2c1OCCC2.CC(C)c1cccc2ccccc12.CC(C)c1cccc2cccnc12.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ccccc2n1.CC(C)c1nnc2[nH]c(=O)c3ccccc3n12.CC(C)n1cc2ccccc2[n+]1[O-].CC(C)n1nc2ccccc2[n+]1[O-].CC(C)n1nnc2ccccc2c1=O
InChIInChI=1S/C13H14.C12H12N4O.C12H14N2O.4C12H13N.C12H12O2.C12H16O.C11H12N2O.C11H12N2.C11H13NO.C11H14O2.C10H11N3O.C10H12N2O2.C10H12N2O.C10H11NO3S.C10H12O2.C9H11N3O/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-7(2)10-14-15-12-13-11(17)8-5-3-4-6-9(8)16(10)12;1-8(2)14-11-7-5-4-6-10(11)13-9(3)12(14)15;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-7(2)8-3-4-9-10(13)5-6-11(14)12(8)9;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-8(2)9-7-11(14)13-6-4-3-5-10(13)12-9;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-7(2)13-10(14)8-5-3-4-6-9(8)11-12-13;1-5(2)7-3-6-4-8(13)12-10(14)9(6)11-7;1-8(2)11-7-9-5-3-4-6-10(9)12(11)13;1-7(2)11-10(12)8-5-3-4-6-9(8)15(11,13)14;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)11-10-8-5-3-4-6-9(8)12(11)13/h3-10H,1-2H3;3-7H,1-2H3,(H,13,15,17);4-8,13H,3H2,1-2H3;4*3-9H,1-2H3;3,5-7H,4H2,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;3-8H,1-2H3;3-8H,1-2H3;3-6,8H,7H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-7H,1-2H3;5H,3-4H2,1-2H3,(H,12,13,14);3-8H,1-2H3;3-7H,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3
InChIKeyKISQACSVLUKHCC-UHFFFAOYSA-N
MW3488.48 g/mol
LogP44.82
Rot. Bonds19

About 1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one;3-methylidene-1-propan-2-yl-4H-quinoxalin-2-one;1-oxido-2-propan-2-ylbenzotriazol-1-ium;1-oxido-2-propan-2-ylindazol-1-ium;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-1,2,3-benzotriazin-4-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-isoindol-1-one;1-propan-2-ylnaphthalene;2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one;2-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one;3-methylidene-1-propan-2-yl-4H-quinoxalin-2-one;1-oxido-2-propan-2-ylbenzotriazol-1-ium;1-oxido-2-propan-2-ylindazol-1-ium;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-1,2,3-benzotriazin-4-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-isoindol-1-one;1-propan-2-ylnaphthalene;2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one;2-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 165015480) has the molecular formula C212H240N26O19S and a molecular weight of 3488.48 g/mol. Its IUPAC name is 1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one;3-methylidene-1-propan-2-yl-4H-quinoxalin-2-one;1-oxido-2-propan-2-ylbenzotriazol-1-ium;1-oxido-2-propan-2-ylindazol-1-ium;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-1,2,3-benzotriazin-4-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-isoindol-1-one;1-propan-2-ylnaphthalene;2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one;2-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one;3-methylidene-1-propan-2-yl-4H-quinoxalin-2-one;1-oxido-2-propan-2-ylbenzotriazol-1-ium;1-oxido-2-propan-2-ylindazol-1-ium;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-1,2,3-benzotriazin-4-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-isoindol-1-one;1-propan-2-ylnaphthalene;2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one;2-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID165015480
Molecular FormulaC212H240N26O19S
Molecular Weight3488.48 g/mol
Exact Mass3485.83
IUPAC Name1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one;3-methylidene-1-propan-2-yl-4H-quinoxalin-2-one;1-oxido-2-propan-2-ylbenzotriazol-1-ium;1-oxido-2-propan-2-ylindazol-1-ium;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-1,2,3-benzotriazin-4-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-isoindol-1-one;1-propan-2-ylnaphthalene;2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one;2-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESC=C1Nc2ccccc2N(C(C)C)C1=O.CC(C)C1=CCC2=C1C(=O)C=CC2=O.CC(C)C1=NC2=C(CC(=O)NC2=O)C1.CC(C)N1C(=O)c2ccccc2S1(=O)=O.CC(C)N1Cc2ccccc2C1=O.CC(C)c1cc(=O)n2ccccc2n1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc2c1OCCC2.CC(C)c1cccc2ccccc12.CC(C)c1cccc2cccnc12.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ccccc2n1.CC(C)c1nnc2[nH]c(=O)c3ccccc3n12.CC(C)n1cc2ccccc2[n+]1[O-].CC(C)n1nc2ccccc2[n+]1[O-].CC(C)n1nnc2ccccc2c1=O
InChIInChI=1S/C13H14.C12H12N4O.C12H14N2O.4C12H13N.C12H12O2.C12H16O.C11H12N2O.C11H12N2.C11H13NO.C11H14O2.C10H11N3O.C10H12N2O2.C10H12N2O.C10H11NO3S.C10H12O2.C9H11N3O/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-7(2)10-14-15-12-13-11(17)8-5-3-4-6-9(8)16(10)12;1-8(2)14-11-7-5-4-6-10(11)13-9(3)12(14)15;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-7(2)8-3-4-9-10(13)5-6-11(14)12(8)9;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-8(2)9-7-11(14)13-6-4-3-5-10(13)12-9;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-7(2)13-10(14)8-5-3-4-6-9(8)11-12-13;1-5(2)7-3-6-4-8(13)12-10(14)9(6)11-7;1-8(2)11-7-9-5-3-4-6-10(9)12(11)13;1-7(2)11-10(12)8-5-3-4-6-9(8)15(11,13)14;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)11-10-8-5-3-4-6-9(8)12(11)13/h3-10H,1-2H3;3-7H,1-2H3,(H,13,15,17);4-8,13H,3H2,1-2H3;4*3-9H,1-2H3;3,5-7H,4H2,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;3-8H,1-2H3;3-8H,1-2H3;3-6,8H,7H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-7H,1-2H3;5H,3-4H2,1-2H3,(H,12,13,14);3-8H,1-2H3;3-7H,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3
InChIKeyKISQACSVLUKHCC-UHFFFAOYSA-N
XLogP44.82
TPSA545.09 Ų
H-Bond Donors3
H-Bond Acceptors38
Rotatable Bonds19
Heavy Atoms258
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003488.48
LogP ≤ 544.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one;3-methylidene-1-propan-2-yl-4H-quinoxalin-2-one;1-oxido-2-propan-2-ylbenzotriazol-1-ium;1-oxido-2-propan-2-ylindazol-1-ium;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-1,2,3-benzotriazin-4-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-isoindol-1-one;1-propan-2-ylnaphthalene;2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one;2-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one;3-methylidene-1-propan-2-yl-4H-quinoxalin-2-one;1-oxido-2-propan-2-ylbenzotriazol-1-ium;1-oxido-2-propan-2-ylindazol-1-ium;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-1,2,3-benzotriazin-4-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-isoindol-1-one;1-propan-2-ylnaphthalene;2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one;2-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one;3-methylidene-1-propan-2-yl-4H-quinoxalin-2-one;1-oxido-2-propan-2-ylbenzotriazol-1-ium;1-oxido-2-propan-2-ylindazol-1-ium;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-1,2,3-benzotriazin-4-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-isoindol-1-one;1-propan-2-ylnaphthalene;2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one;2-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 165015480) is 1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one;3-methylidene-1-propan-2-yl-4H-quinoxalin-2-one;1-oxido-2-propan-2-ylbenzotriazol-1-ium;1-oxido-2-propan-2-ylindazol-1-ium;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-1,2,3-benzotriazin-4-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-isoindol-1-one;1-propan-2-ylnaphthalene;2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one;2-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one;3-methylidene-1-propan-2-yl-4H-quinoxalin-2-one;1-oxido-2-propan-2-ylbenzotriazol-1-ium;1-oxido-2-propan-2-ylindazol-1-ium;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-1,2,3-benzotriazin-4-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-isoindol-1-one;1-propan-2-ylnaphthalene;2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one;2-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one;3-methylidene-1-propan-2-yl-4H-quinoxalin-2-one;1-oxido-2-propan-2-ylbenzotriazol-1-ium;1-oxido-2-propan-2-ylindazol-1-ium;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-1,2,3-benzotriazin-4-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-isoindol-1-one;1-propan-2-ylnaphthalene;2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one;2-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one is C=C1Nc2ccccc2N(C(C)C)C1=O.CC(C)C1=CCC2=C1C(=O)C=CC2=O.CC(C)C1=NC2=C(CC(=O)NC2=O)C1.CC(C)N1C(=O)c2ccccc2S1(=O)=O.CC(C)N1Cc2ccccc2C1=O.CC(C)c1cc(=O)n2ccccc2n1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc2c1OCCC2.CC(C)c1cccc2ccccc12.CC(C)c1cccc2cccnc12.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ccccc2n1.CC(C)c1nnc2[nH]c(=O)c3ccccc3n12.CC(C)n1cc2ccccc2[n+]1[O-].CC(C)n1nc2ccccc2[n+]1[O-].CC(C)n1nnc2ccccc2c1=O.
What is the InChIKey of 1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one;3-methylidene-1-propan-2-yl-4H-quinoxalin-2-one;1-oxido-2-propan-2-ylbenzotriazol-1-ium;1-oxido-2-propan-2-ylindazol-1-ium;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-1,2,3-benzotriazin-4-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-isoindol-1-one;1-propan-2-ylnaphthalene;2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one;2-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is KISQACSVLUKHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14.C12H12N4O.C12H14N2O.4C12H13N.C12H12O2.C12H16O.C11H12N2O.C11H12N2.C11H13NO.C11H14O2.C10H11N3O.C10H12N2O2.C10H12N2O.C10H11NO3S.C10H12O2.C9H11N3O/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-7(2)10-14-15-12-13-11(17)8-5-3-4-6-9(8)16(10)12;1-8(2)14-11-7-5-4-6-10(11)13-9(3)12(14)15;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-7(2)8-3-4-9-10(13)5-6-11(14)12(8)9;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-8(2)9-7-11(14)13-6-4-3-5-10(13)12-9;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-7(2)13-10(14)8-5-3-4-6-9(8)11-12-13;1-5(2)7-3-6-4-8(13)12-10(14)9(6)11-7;1-8(2)11-7-9-5-3-4-6-10(9)12(11)13;1-7(2)11-10(12)8-5-3-4-6-9(8)15(11,13)14;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)11-10-8-5-3-4-6-9(8)12(11)13/h3-10H,1-2H3;3-7H,1-2H3,(H,13,15,17);4-8,13H,3H2,1-2H3;4*3-9H,1-2H3;3,5-7H,4H2,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;3-8H,1-2H3;3-8H,1-2H3;3-6,8H,7H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-7H,1-2H3;5H,3-4H2,1-2H3,(H,12,13,14);3-8H,1-2H3;3-7H,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3.
What are the key properties of 1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one;3-methylidene-1-propan-2-yl-4H-quinoxalin-2-one;1-oxido-2-propan-2-ylbenzotriazol-1-ium;1-oxido-2-propan-2-ylindazol-1-ium;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-1,2,3-benzotriazin-4-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-isoindol-1-one;1-propan-2-ylnaphthalene;2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one;2-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one;3-methylidene-1-propan-2-yl-4H-quinoxalin-2-one;1-oxido-2-propan-2-ylbenzotriazol-1-ium;1-oxido-2-propan-2-ylindazol-1-ium;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-1,2,3-benzotriazin-4-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-isoindol-1-one;1-propan-2-ylnaphthalene;2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one;2-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 3488.48 g/mol, XLogP of 44.82, 19 rotatable bonds, 3 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one;3-methylidene-1-propan-2-yl-4H-quinoxalin-2-one;1-oxido-2-propan-2-ylbenzotriazol-1-ium;1-oxido-2-propan-2-ylindazol-1-ium;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-1,2,3-benzotriazin-4-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-isoindol-1-one;1-propan-2-ylnaphthalene;2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one;2-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 165015480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).