2H-benzotriazole;3H-1,3-benzoxazol-2-one;9H-carbazole;1,3-dihydroindol-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;1,3-dihydropyrrolo[3,2-c]pyridin-2-one;1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;2,3,4,5,7,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4H-imidazo[1,5-a]quinazolin-5-one;6H-imidazo[1,2-c]pyrimidin-5-one;3-methylidene-4H-1,4-benzoxazine;2-methylidene-3,4-dihydro-1H-quinazoline;2-methylidene-3,4-dihydro-1H-quinoline;2-methylidene-1H-quinoline;6-oxido-1,3-dihydropyrrolo[2,3-c]pyridin-6-ium-2-one;5H-phenanthridin-6-one;4H-pyrazolo[1,5-a]quinazolin-5-one;quinoline;2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one;1H-triazolo[1,5-a]quinazolin-5-one

C177H144N48O18 — CID 158311974

IUPAC2H-benzotriazole;3H-1,3-benzoxazol-2-one;9H-carbazole;1,3-dihydroindol-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;1,3-dihydropyrrolo[3,2-c]pyridin-2-one;1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;2,3,4,5,7,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4H-imidazo[1,5-a]quinazolin-5-one;6H-imidazo[1,2-c]pyrimidin-5-one;3-methylidene-4H-1,4-benzoxazine;2-methylidene-3,4-dihydro-1H-quinazoline;2-methylidene-3,4-dihydro-1H-quinoline;2-methylidene-1H-quinoline;6-oxido-1,3-dihydropyrrolo[2,3-c]pyridin-6-ium-2-one;5H-phenanthridin-6-one;4H-pyrazolo[1,5-a]quinazolin-5-one;quinoline;2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one;1H-triazolo[1,5-a]quinazolin-5-one
SMILESC=C1C=Cc2ccccc2N1.C=C1CCc2ccccc2N1.C=C1COc2ccccc2N1.C=C1NCc2ccccc2N1.O=C1Cc2cc[n+]([O-])cc2N1.O=C1Cc2ccccc2N1.O=C1Cc2cccnc2N1.O=C1Cc2cnccc2N1.O=c1[nH]c2c(c(=O)[nH]1)CC=N2.O=c1[nH]c2ccccc2c2ccccc12.O=c1[nH]c2ccccc2o1.O=c1[nH]c2ccnn2c2ccccc12.O=c1[nH]c2ccnn2c2ncccc12.O=c1[nH]c2cncn2c2ccccc12.O=c1[nH]c2nnnn2c2ncccc12.O=c1[nH]ccc2nccn12.O=c1cccc2nc[nH]n12.O=c1nc2cn[nH]n2c2ccccc12.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2n[nH]nc2c1.c1ccc2ncccc2c1
InChIInChI=1S/C13H9NO.C12H9N.2C10H7N3O.C10H11N.C10H9N.2C9H6N4O.C9H10N2.C9H9NO.C9H7N.C8H7NO.C7H4N6O.C7H6N2O2.2C7H6N2O.C7H5NO2.C6H5N3O2.2C6H5N3O.C6H5N3/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;14-10-7-3-1-2-4-8(7)13-6-11-5-9(13)12-10;14-10-7-3-1-2-4-8(7)13-9(12-10)5-6-11-13;2*1-8-6-7-9-4-2-3-5-10(9)11-8;14-9-6-2-1-4-10-8(6)13-7(12-9)3-5-11-13;14-9-6-3-1-2-4-7(6)13-8(11-9)5-10-12-13;1-7-10-6-8-4-2-3-5-9(8)11-7;1-7-6-11-9-5-3-2-4-8(9)10-7;1-2-6-9-8(4-1)5-3-7-10-9;10-8-5-6-3-1-2-4-7(6)9-8;14-6-4-2-1-3-8-5(4)13-7(9-6)10-11-12-13;10-7-3-5-1-2-9(11)4-6(5)8-7;10-7-3-5-4-8-2-1-6(5)9-7;10-6-4-5-2-1-3-8-7(5)9-6;9-7-8-5-3-1-2-4-6(5)10-7;10-5-3-1-2-7-4(3)8-6(11)9-5;10-6-8-2-1-5-7-3-4-9(5)6;10-6-3-1-2-5-7-4-8-9(5)6;1-2-4-6-5(3-1)7-9-8-6/h1-8H,(H,14,15);1-8,13H;2*1-6H,(H,12,14);2-5,11H,1,6-7H2;2-7,11H,1H2;1-5H,(H,12,14);1-5,12H;2-5,10-11H,1,6H2;2-5,10H,1,6H2;1-7H;1-4H,5H2,(H,9,10);1-3H,(H,9,10,12,14);1-2,4H,3H2,(H,8,10);1-2,4H,3H2,(H,9,10);1-3H,4H2,(H,8,9,10);1-4H,(H,8,9);2H,1H2,(H2,8,9,10,11);1-4H,(H,8,10);1-4H,(H,7,8);1-4H,(H,7,8,9)
InChIKeyJLEXAIPVZCZDCE-UHFFFAOYSA-N
MW3231.42 g/mol
LogP23.56
Rot. Bonds

About 2H-benzotriazole;3H-1,3-benzoxazol-2-one;9H-carbazole;1,3-dihydroindol-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;1,3-dihydropyrrolo[3,2-c]pyridin-2-one;1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;2,3,4,5,7,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4H-imidazo[1,5-a]quinazolin-5-one;6H-imidazo[1,2-c]pyrimidin-5-one;3-methylidene-4H-1,4-benzoxazine;2-methylidene-3,4-dihydro-1H-quinazoline;2-methylidene-3,4-dihydro-1H-quinoline;2-methylidene-1H-quinoline;6-oxido-1,3-dihydropyrrolo[2,3-c]pyridin-6-ium-2-one;5H-phenanthridin-6-one;4H-pyrazolo[1,5-a]quinazolin-5-one;quinoline;2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one;1H-triazolo[1,5-a]quinazolin-5-one

2H-benzotriazole;3H-1,3-benzoxazol-2-one;9H-carbazole;1,3-dihydroindol-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;1,3-dihydropyrrolo[3,2-c]pyridin-2-one;1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;2,3,4,5,7,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4H-imidazo[1,5-a]quinazolin-5-one;6H-imidazo[1,2-c]pyrimidin-5-one;3-methylidene-4H-1,4-benzoxazine;2-methylidene-3,4-dihydro-1H-quinazoline;2-methylidene-3,4-dihydro-1H-quinoline;2-methylidene-1H-quinoline;6-oxido-1,3-dihydropyrrolo[2,3-c]pyridin-6-ium-2-one;5H-phenanthridin-6-one;4H-pyrazolo[1,5-a]quinazolin-5-one;quinoline;2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one;1H-triazolo[1,5-a]quinazolin-5-one (PubChem CID 158311974) has the molecular formula C177H144N48O18 and a molecular weight of 3231.42 g/mol. Its IUPAC name is 2H-benzotriazole;3H-1,3-benzoxazol-2-one;9H-carbazole;1,3-dihydroindol-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;1,3-dihydropyrrolo[3,2-c]pyridin-2-one;1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;2,3,4,5,7,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4H-imidazo[1,5-a]quinazolin-5-one;6H-imidazo[1,2-c]pyrimidin-5-one;3-methylidene-4H-1,4-benzoxazine;2-methylidene-3,4-dihydro-1H-quinazoline;2-methylidene-3,4-dihydro-1H-quinoline;2-methylidene-1H-quinoline;6-oxido-1,3-dihydropyrrolo[2,3-c]pyridin-6-ium-2-one;5H-phenanthridin-6-one;4H-pyrazolo[1,5-a]quinazolin-5-one;quinoline;2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one;1H-triazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2H-benzotriazole;3H-1,3-benzoxazol-2-one;9H-carbazole;1,3-dihydroindol-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;1,3-dihydropyrrolo[3,2-c]pyridin-2-one;1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;2,3,4,5,7,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4H-imidazo[1,5-a]quinazolin-5-one;6H-imidazo[1,2-c]pyrimidin-5-one;3-methylidene-4H-1,4-benzoxazine;2-methylidene-3,4-dihydro-1H-quinazoline;2-methylidene-3,4-dihydro-1H-quinoline;2-methylidene-1H-quinoline;6-oxido-1,3-dihydropyrrolo[2,3-c]pyridin-6-ium-2-one;5H-phenanthridin-6-one;4H-pyrazolo[1,5-a]quinazolin-5-one;quinoline;2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one;1H-triazolo[1,5-a]quinazolin-5-one
PubChem CID158311974
Molecular FormulaC177H144N48O18
Molecular Weight3231.42 g/mol
Exact Mass3229.18
IUPAC Name2H-benzotriazole;3H-1,3-benzoxazol-2-one;9H-carbazole;1,3-dihydroindol-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;1,3-dihydropyrrolo[3,2-c]pyridin-2-one;1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;2,3,4,5,7,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4H-imidazo[1,5-a]quinazolin-5-one;6H-imidazo[1,2-c]pyrimidin-5-one;3-methylidene-4H-1,4-benzoxazine;2-methylidene-3,4-dihydro-1H-quinazoline;2-methylidene-3,4-dihydro-1H-quinoline;2-methylidene-1H-quinoline;6-oxido-1,3-dihydropyrrolo[2,3-c]pyridin-6-ium-2-one;5H-phenanthridin-6-one;4H-pyrazolo[1,5-a]quinazolin-5-one;quinoline;2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one;1H-triazolo[1,5-a]quinazolin-5-one
SMILESC=C1C=Cc2ccccc2N1.C=C1CCc2ccccc2N1.C=C1COc2ccccc2N1.C=C1NCc2ccccc2N1.O=C1Cc2cc[n+]([O-])cc2N1.O=C1Cc2ccccc2N1.O=C1Cc2cccnc2N1.O=C1Cc2cnccc2N1.O=c1[nH]c2c(c(=O)[nH]1)CC=N2.O=c1[nH]c2ccccc2c2ccccc12.O=c1[nH]c2ccccc2o1.O=c1[nH]c2ccnn2c2ccccc12.O=c1[nH]c2ccnn2c2ncccc12.O=c1[nH]c2cncn2c2ccccc12.O=c1[nH]c2nnnn2c2ncccc12.O=c1[nH]ccc2nccn12.O=c1cccc2nc[nH]n12.O=c1nc2cn[nH]n2c2ccccc12.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2n[nH]nc2c1.c1ccc2ncccc2c1
InChIInChI=1S/C13H9NO.C12H9N.2C10H7N3O.C10H11N.C10H9N.2C9H6N4O.C9H10N2.C9H9NO.C9H7N.C8H7NO.C7H4N6O.C7H6N2O2.2C7H6N2O.C7H5NO2.C6H5N3O2.2C6H5N3O.C6H5N3/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;14-10-7-3-1-2-4-8(7)13-6-11-5-9(13)12-10;14-10-7-3-1-2-4-8(7)13-9(12-10)5-6-11-13;2*1-8-6-7-9-4-2-3-5-10(9)11-8;14-9-6-2-1-4-10-8(6)13-7(12-9)3-5-11-13;14-9-6-3-1-2-4-7(6)13-8(11-9)5-10-12-13;1-7-10-6-8-4-2-3-5-9(8)11-7;1-7-6-11-9-5-3-2-4-8(9)10-7;1-2-6-9-8(4-1)5-3-7-10-9;10-8-5-6-3-1-2-4-7(6)9-8;14-6-4-2-1-3-8-5(4)13-7(9-6)10-11-12-13;10-7-3-5-1-2-9(11)4-6(5)8-7;10-7-3-5-4-8-2-1-6(5)9-7;10-6-4-5-2-1-3-8-7(5)9-6;9-7-8-5-3-1-2-4-6(5)10-7;10-5-3-1-2-7-4(3)8-6(11)9-5;10-6-8-2-1-5-7-3-4-9(5)6;10-6-3-1-2-5-7-4-8-9(5)6;1-2-4-6-5(3-1)7-9-8-6/h1-8H,(H,14,15);1-8,13H;2*1-6H,(H,12,14);2-5,11H,1,6-7H2;2-7,11H,1H2;1-5H,(H,12,14);1-5,12H;2-5,10-11H,1,6H2;2-5,10H,1,6H2;1-7H;1-4H,5H2,(H,9,10);1-3H,(H,9,10,12,14);1-2,4H,3H2,(H,8,10);1-2,4H,3H2,(H,9,10);1-3H,4H2,(H,8,9,10);1-4H,(H,8,9);2H,1H2,(H2,8,9,10,11);1-4H,(H,8,10);1-4H,(H,7,8);1-4H,(H,7,8,9)
InChIKeyJLEXAIPVZCZDCE-UHFFFAOYSA-N
XLogP23.56
TPSA881.26 Ų
H-Bond Donors22
H-Bond Acceptors48
Rotatable Bonds
Heavy Atoms243
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003231.42
LogP ≤ 523.56
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2H-benzotriazole;3H-1,3-benzoxazol-2-one;9H-carbazole;1,3-dihydroindol-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;1,3-dihydropyrrolo[3,2-c]pyridin-2-one;1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;2,3,4,5,7,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4H-imidazo[1,5-a]quinazolin-5-one;6H-imidazo[1,2-c]pyrimidin-5-one;3-methylidene-4H-1,4-benzoxazine;2-methylidene-3,4-dihydro-1H-quinazoline;2-methylidene-3,4-dihydro-1H-quinoline;2-methylidene-1H-quinoline;6-oxido-1,3-dihydropyrrolo[2,3-c]pyridin-6-ium-2-one;5H-phenanthridin-6-one;4H-pyrazolo[1,5-a]quinazolin-5-one;quinoline;2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one;1H-triazolo[1,5-a]quinazolin-5-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazole;3H-1,3-benzoxazol-2-one;9H-carbazole;1,3-dihydroindol-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;1,3-dihydropyrrolo[3,2-c]pyridin-2-one;1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;2,3,4,5,7,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4H-imidazo[1,5-a]quinazolin-5-one;6H-imidazo[1,2-c]pyrimidin-5-one;3-methylidene-4H-1,4-benzoxazine;2-methylidene-3,4-dihydro-1H-quinazoline;2-methylidene-3,4-dihydro-1H-quinoline;2-methylidene-1H-quinoline;6-oxido-1,3-dihydropyrrolo[2,3-c]pyridin-6-ium-2-one;5H-phenanthridin-6-one;4H-pyrazolo[1,5-a]quinazolin-5-one;quinoline;2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one;1H-triazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2H-benzotriazole;3H-1,3-benzoxazol-2-one;9H-carbazole;1,3-dihydroindol-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;1,3-dihydropyrrolo[3,2-c]pyridin-2-one;1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;2,3,4,5,7,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4H-imidazo[1,5-a]quinazolin-5-one;6H-imidazo[1,2-c]pyrimidin-5-one;3-methylidene-4H-1,4-benzoxazine;2-methylidene-3,4-dihydro-1H-quinazoline;2-methylidene-3,4-dihydro-1H-quinoline;2-methylidene-1H-quinoline;6-oxido-1,3-dihydropyrrolo[2,3-c]pyridin-6-ium-2-one;5H-phenanthridin-6-one;4H-pyrazolo[1,5-a]quinazolin-5-one;quinoline;2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one;1H-triazolo[1,5-a]quinazolin-5-one (CID 158311974) is 2H-benzotriazole;3H-1,3-benzoxazol-2-one;9H-carbazole;1,3-dihydroindol-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;1,3-dihydropyrrolo[3,2-c]pyridin-2-one;1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;2,3,4,5,7,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4H-imidazo[1,5-a]quinazolin-5-one;6H-imidazo[1,2-c]pyrimidin-5-one;3-methylidene-4H-1,4-benzoxazine;2-methylidene-3,4-dihydro-1H-quinazoline;2-methylidene-3,4-dihydro-1H-quinoline;2-methylidene-1H-quinoline;6-oxido-1,3-dihydropyrrolo[2,3-c]pyridin-6-ium-2-one;5H-phenanthridin-6-one;4H-pyrazolo[1,5-a]quinazolin-5-one;quinoline;2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one;1H-triazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2H-benzotriazole;3H-1,3-benzoxazol-2-one;9H-carbazole;1,3-dihydroindol-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;1,3-dihydropyrrolo[3,2-c]pyridin-2-one;1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;2,3,4,5,7,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4H-imidazo[1,5-a]quinazolin-5-one;6H-imidazo[1,2-c]pyrimidin-5-one;3-methylidene-4H-1,4-benzoxazine;2-methylidene-3,4-dihydro-1H-quinazoline;2-methylidene-3,4-dihydro-1H-quinoline;2-methylidene-1H-quinoline;6-oxido-1,3-dihydropyrrolo[2,3-c]pyridin-6-ium-2-one;5H-phenanthridin-6-one;4H-pyrazolo[1,5-a]quinazolin-5-one;quinoline;2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one;1H-triazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2H-benzotriazole;3H-1,3-benzoxazol-2-one;9H-carbazole;1,3-dihydroindol-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;1,3-dihydropyrrolo[3,2-c]pyridin-2-one;1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;2,3,4,5,7,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4H-imidazo[1,5-a]quinazolin-5-one;6H-imidazo[1,2-c]pyrimidin-5-one;3-methylidene-4H-1,4-benzoxazine;2-methylidene-3,4-dihydro-1H-quinazoline;2-methylidene-3,4-dihydro-1H-quinoline;2-methylidene-1H-quinoline;6-oxido-1,3-dihydropyrrolo[2,3-c]pyridin-6-ium-2-one;5H-phenanthridin-6-one;4H-pyrazolo[1,5-a]quinazolin-5-one;quinoline;2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one;1H-triazolo[1,5-a]quinazolin-5-one is C=C1C=Cc2ccccc2N1.C=C1CCc2ccccc2N1.C=C1COc2ccccc2N1.C=C1NCc2ccccc2N1.O=C1Cc2cc[n+]([O-])cc2N1.O=C1Cc2ccccc2N1.O=C1Cc2cccnc2N1.O=C1Cc2cnccc2N1.O=c1[nH]c2c(c(=O)[nH]1)CC=N2.O=c1[nH]c2ccccc2c2ccccc12.O=c1[nH]c2ccccc2o1.O=c1[nH]c2ccnn2c2ccccc12.O=c1[nH]c2ccnn2c2ncccc12.O=c1[nH]c2cncn2c2ccccc12.O=c1[nH]c2nnnn2c2ncccc12.O=c1[nH]ccc2nccn12.O=c1cccc2nc[nH]n12.O=c1nc2cn[nH]n2c2ccccc12.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2n[nH]nc2c1.c1ccc2ncccc2c1.
What is the InChIKey of 2H-benzotriazole;3H-1,3-benzoxazol-2-one;9H-carbazole;1,3-dihydroindol-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;1,3-dihydropyrrolo[3,2-c]pyridin-2-one;1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;2,3,4,5,7,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4H-imidazo[1,5-a]quinazolin-5-one;6H-imidazo[1,2-c]pyrimidin-5-one;3-methylidene-4H-1,4-benzoxazine;2-methylidene-3,4-dihydro-1H-quinazoline;2-methylidene-3,4-dihydro-1H-quinoline;2-methylidene-1H-quinoline;6-oxido-1,3-dihydropyrrolo[2,3-c]pyridin-6-ium-2-one;5H-phenanthridin-6-one;4H-pyrazolo[1,5-a]quinazolin-5-one;quinoline;2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one;1H-triazolo[1,5-a]quinazolin-5-one?
The InChIKey is JLEXAIPVZCZDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO.C12H9N.2C10H7N3O.C10H11N.C10H9N.2C9H6N4O.C9H10N2.C9H9NO.C9H7N.C8H7NO.C7H4N6O.C7H6N2O2.2C7H6N2O.C7H5NO2.C6H5N3O2.2C6H5N3O.C6H5N3/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;14-10-7-3-1-2-4-8(7)13-6-11-5-9(13)12-10;14-10-7-3-1-2-4-8(7)13-9(12-10)5-6-11-13;2*1-8-6-7-9-4-2-3-5-10(9)11-8;14-9-6-2-1-4-10-8(6)13-7(12-9)3-5-11-13;14-9-6-3-1-2-4-7(6)13-8(11-9)5-10-12-13;1-7-10-6-8-4-2-3-5-9(8)11-7;1-7-6-11-9-5-3-2-4-8(9)10-7;1-2-6-9-8(4-1)5-3-7-10-9;10-8-5-6-3-1-2-4-7(6)9-8;14-6-4-2-1-3-8-5(4)13-7(9-6)10-11-12-13;10-7-3-5-1-2-9(11)4-6(5)8-7;10-7-3-5-4-8-2-1-6(5)9-7;10-6-4-5-2-1-3-8-7(5)9-6;9-7-8-5-3-1-2-4-6(5)10-7;10-5-3-1-2-7-4(3)8-6(11)9-5;10-6-8-2-1-5-7-3-4-9(5)6;10-6-3-1-2-5-7-4-8-9(5)6;1-2-4-6-5(3-1)7-9-8-6/h1-8H,(H,14,15);1-8,13H;2*1-6H,(H,12,14);2-5,11H,1,6-7H2;2-7,11H,1H2;1-5H,(H,12,14);1-5,12H;2-5,10-11H,1,6H2;2-5,10H,1,6H2;1-7H;1-4H,5H2,(H,9,10);1-3H,(H,9,10,12,14);1-2,4H,3H2,(H,8,10);1-2,4H,3H2,(H,9,10);1-3H,4H2,(H,8,9,10);1-4H,(H,8,9);2H,1H2,(H2,8,9,10,11);1-4H,(H,8,10);1-4H,(H,7,8);1-4H,(H,7,8,9).
What are the key properties of 2H-benzotriazole;3H-1,3-benzoxazol-2-one;9H-carbazole;1,3-dihydroindol-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;1,3-dihydropyrrolo[3,2-c]pyridin-2-one;1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;2,3,4,5,7,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4H-imidazo[1,5-a]quinazolin-5-one;6H-imidazo[1,2-c]pyrimidin-5-one;3-methylidene-4H-1,4-benzoxazine;2-methylidene-3,4-dihydro-1H-quinazoline;2-methylidene-3,4-dihydro-1H-quinoline;2-methylidene-1H-quinoline;6-oxido-1,3-dihydropyrrolo[2,3-c]pyridin-6-ium-2-one;5H-phenanthridin-6-one;4H-pyrazolo[1,5-a]quinazolin-5-one;quinoline;2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one;1H-triazolo[1,5-a]quinazolin-5-one?
2H-benzotriazole;3H-1,3-benzoxazol-2-one;9H-carbazole;1,3-dihydroindol-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;1,3-dihydropyrrolo[3,2-c]pyridin-2-one;1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;2,3,4,5,7,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4H-imidazo[1,5-a]quinazolin-5-one;6H-imidazo[1,2-c]pyrimidin-5-one;3-methylidene-4H-1,4-benzoxazine;2-methylidene-3,4-dihydro-1H-quinazoline;2-methylidene-3,4-dihydro-1H-quinoline;2-methylidene-1H-quinoline;6-oxido-1,3-dihydropyrrolo[2,3-c]pyridin-6-ium-2-one;5H-phenanthridin-6-one;4H-pyrazolo[1,5-a]quinazolin-5-one;quinoline;2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one;1H-triazolo[1,5-a]quinazolin-5-one has a molecular weight of 3231.42 g/mol, XLogP of 23.56, 0 rotatable bonds, 22 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazole;3H-1,3-benzoxazol-2-one;9H-carbazole;1,3-dihydroindol-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;1,3-dihydropyrrolo[3,2-c]pyridin-2-one;1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;2,3,4,5,7,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;4H-imidazo[1,5-a]quinazolin-5-one;6H-imidazo[1,2-c]pyrimidin-5-one;3-methylidene-4H-1,4-benzoxazine;2-methylidene-3,4-dihydro-1H-quinazoline;2-methylidene-3,4-dihydro-1H-quinoline;2-methylidene-1H-quinoline;6-oxido-1,3-dihydropyrrolo[2,3-c]pyridin-6-ium-2-one;5H-phenanthridin-6-one;4H-pyrazolo[1,5-a]quinazolin-5-one;quinoline;2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;3H-[1,2,4]triazolo[1,5-a]pyridin-5-one;1H-triazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 158311974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).