methane;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one

C140H173N15O11S — CID 158501044

IUPACmethane;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESC.CC(C)N1C(=O)CCc2ccccc21.CC(C)N1C(=O)NCc2ccccc21.CC(C)N1CCCc2ccccc21.CC(C)N1CCc2ccccc21.CC(C)N1CCc2ccccc2C1.CC(C)N1Cc2ccccc2C1.CC(C)N1Cc2ccccc2CC1=O.CC(C)N1Cc2ccccc2NC1=O.CC(C)n1c(=O)oc2c3ccccc3ccc21.CC(C)n1c(=O)oc2ccc3ccccc3c21.CC(C)n1c(=O)oc2cccnc21.CC(C)n1c(=O)sc2ccccc21
InChIInChI=1S/2C14H13NO2.2C12H15NO.2C12H17N.2C11H14N2O.2C11H15N.C10H11NOS.C9H10N2O2.CH4/c1-9(2)15-13-11-6-4-3-5-10(11)7-8-12(13)17-14(15)16;1-9(2)15-12-8-7-10-5-3-4-6-11(10)13(12)17-14(15)16;1-9(2)13-8-11-6-4-3-5-10(11)7-12(13)14;1-9(2)13-11-6-4-3-5-10(11)7-8-12(13)14;1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-8(2)13-7-9-5-3-4-6-10(9)12-11(13)14;1-8(2)13-10-6-4-3-5-9(10)7-12-11(13)14;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-7(2)11-8-5-3-4-6-9(8)13-10(11)12;1-6(2)11-8-7(13-9(11)12)4-3-5-10-8;/h2*3-9H,1-2H3;2*3-6,9H,7-8H2,1-2H3;3-4,6,8,10H,5,7,9H2,1-2H3;3-6,10H,7-9H2,1-2H3;2*3-6,8H,7H2,1-2H3,(H,12,14);2*3-6,9H,7-8H2,1-2H3;3-7H,1-2H3;3-6H,1-2H3;1H4
InChIKeyHJWZACYHTNMAEW-UHFFFAOYSA-N
MW2274.08 g/mol
LogP30.60
Rot. Bonds12

About methane;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one

methane;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 158501044) has the molecular formula C140H173N15O11S and a molecular weight of 2274.08 g/mol. Its IUPAC name is methane;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Namemethane;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID158501044
Molecular FormulaC140H173N15O11S
Molecular Weight2274.08 g/mol
Exact Mass2272.32
IUPAC Namemethane;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESC.CC(C)N1C(=O)CCc2ccccc21.CC(C)N1C(=O)NCc2ccccc21.CC(C)N1CCCc2ccccc21.CC(C)N1CCc2ccccc21.CC(C)N1CCc2ccccc2C1.CC(C)N1Cc2ccccc2C1.CC(C)N1Cc2ccccc2CC1=O.CC(C)N1Cc2ccccc2NC1=O.CC(C)n1c(=O)oc2c3ccccc3ccc21.CC(C)n1c(=O)oc2ccc3ccccc3c21.CC(C)n1c(=O)oc2cccnc21.CC(C)n1c(=O)sc2ccccc21
InChIInChI=1S/2C14H13NO2.2C12H15NO.2C12H17N.2C11H14N2O.2C11H15N.C10H11NOS.C9H10N2O2.CH4/c1-9(2)15-13-11-6-4-3-5-10(11)7-8-12(13)17-14(15)16;1-9(2)15-12-8-7-10-5-3-4-6-11(10)13(12)17-14(15)16;1-9(2)13-8-11-6-4-3-5-10(11)7-12(13)14;1-9(2)13-11-6-4-3-5-10(11)7-8-12(13)14;1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-8(2)13-7-9-5-3-4-6-10(9)12-11(13)14;1-8(2)13-10-6-4-3-5-9(10)7-12-11(13)14;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-7(2)11-8-5-3-4-6-9(8)13-10(11)12;1-6(2)11-8-7(13-9(11)12)4-3-5-10-8;/h2*3-9H,1-2H3;2*3-6,9H,7-8H2,1-2H3;3-4,6,8,10H,5,7,9H2,1-2H3;3-6,10H,7-9H2,1-2H3;2*3-6,8H,7H2,1-2H3,(H,12,14);2*3-6,9H,7-8H2,1-2H3;3-7H,1-2H3;3-6H,1-2H3;1H4
InChIKeyHJWZACYHTNMAEW-UHFFFAOYSA-N
XLogP30.60
TPSA258.57 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002274.08
LogP ≤ 530.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Analyze methane;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

methane;1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one
CID 157376062
1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 158116166
1-Propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 158765918
1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 158876346
1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;3-propan-2-yl-1,3-benzoxazol-2-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one
CID 159481581
CID 159574234
CID 159574234
1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;1-propan-2-yltriazolo[4,5-d]pyrimidine
CID 159574483
CID 160304036
CID 160304036
1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one
CID 160355121
Methane;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 161615063
1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydroquinolin-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one
CID 161789047
CID 162105048
CID 162105048

Frequently Asked Questions

What is the IUPAC name of methane;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of methane;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 158501044) is methane;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for methane;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for methane;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one is C.CC(C)N1C(=O)CCc2ccccc21.CC(C)N1C(=O)NCc2ccccc21.CC(C)N1CCCc2ccccc21.CC(C)N1CCc2ccccc21.CC(C)N1CCc2ccccc2C1.CC(C)N1Cc2ccccc2C1.CC(C)N1Cc2ccccc2CC1=O.CC(C)N1Cc2ccccc2NC1=O.CC(C)n1c(=O)oc2c3ccccc3ccc21.CC(C)n1c(=O)oc2ccc3ccccc3c21.CC(C)n1c(=O)oc2cccnc21.CC(C)n1c(=O)sc2ccccc21.
What is the InChIKey of methane;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is HJWZACYHTNMAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H13NO2.2C12H15NO.2C12H17N.2C11H14N2O.2C11H15N.C10H11NOS.C9H10N2O2.CH4/c1-9(2)15-13-11-6-4-3-5-10(11)7-8-12(13)17-14(15)16;1-9(2)15-12-8-7-10-5-3-4-6-11(10)13(12)17-14(15)16;1-9(2)13-8-11-6-4-3-5-10(11)7-12(13)14;1-9(2)13-11-6-4-3-5-10(11)7-8-12(13)14;1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-8(2)13-7-9-5-3-4-6-10(9)12-11(13)14;1-8(2)13-10-6-4-3-5-9(10)7-12-11(13)14;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-7(2)11-8-5-3-4-6-9(8)13-10(11)12;1-6(2)11-8-7(13-9(11)12)4-3-5-10-8;/h2*3-9H,1-2H3;2*3-6,9H,7-8H2,1-2H3;3-4,6,8,10H,5,7,9H2,1-2H3;3-6,10H,7-9H2,1-2H3;2*3-6,8H,7H2,1-2H3,(H,12,14);2*3-6,9H,7-8H2,1-2H3;3-7H,1-2H3;3-6H,1-2H3;1H4.
What are the key properties of methane;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one?
methane;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 2274.08 g/mol, XLogP of 30.60, 12 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 158501044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).