(3aS)-3a-hydroxy-1-imidazo[1,5-a]pyridin-6-yl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-thieno[2,3-b]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one

C97H83N17O11S2 — CID 158016263

IUPAC(3aS)-3a-hydroxy-1-imidazo[1,5-a]pyridin-6-yl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-thieno[2,3-b]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
SMILESCc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3ccc4c(c3)OCCN4)C1=N2.Cc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3ccc4cncn4c3)C1=N2.Cc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3ccc4sc(C)nc4c3)C1=N2.Cc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3ccn4nccc4c3)C1=N2.Cc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3cnc4sccc4c3)C1=N2
InChIInChI=1S/C20H19N3O3.C20H17N3O2S.2C19H16N4O2.C19H15N3O2S/c1-12-2-4-15-14(10-12)18(24)20(25)6-8-23(19(20)22-15)13-3-5-16-17(11-13)26-9-7-21-16;1-11-3-5-15-14(9-11)18(24)20(25)7-8-23(19(20)22-15)13-4-6-17-16(10-13)21-12(2)26-17;1-12-2-5-16-15(8-12)17(24)19(25)6-7-23(18(19)21-16)14-4-3-13-9-20-11-22(13)10-14;1-12-2-3-16-15(10-12)17(24)19(25)6-9-22(18(19)21-16)13-5-8-23-14(11-13)4-7-20-23;1-11-2-3-15-14(8-11)16(23)19(24)5-6-22(18(19)21-15)13-9-12-4-7-25-17(12)20-10-13/h2-5,10-11,21,25H,6-9H2,1H3;3-6,9-10,25H,7-8H2,1-2H3;2-5,8-11,25H,6-7H2,1H3;2-5,7-8,10-11,25H,6,9H2,1H3;2-4,7-10,24H,5-6H2,1H3/t2*20-;3*19-/m11111/s1
InChIKeyFFMSNGUMLZYRQU-TXBDOZRFSA-N
MW1726.97 g/mol
LogP14.94
Rot. Bonds5

About (3aS)-3a-hydroxy-1-imidazo[1,5-a]pyridin-6-yl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-thieno[2,3-b]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one

(3aS)-3a-hydroxy-1-imidazo[1,5-a]pyridin-6-yl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-thieno[2,3-b]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one (PubChem CID 158016263) has the molecular formula C97H83N17O11S2 and a molecular weight of 1726.97 g/mol. Its IUPAC name is (3aS)-3a-hydroxy-1-imidazo[1,5-a]pyridin-6-yl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-thieno[2,3-b]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one.

Molecular Properties

Compound Name(3aS)-3a-hydroxy-1-imidazo[1,5-a]pyridin-6-yl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-thieno[2,3-b]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
PubChem CID158016263
Molecular FormulaC97H83N17O11S2
Molecular Weight1726.97 g/mol
Exact Mass1725.59
IUPAC Name(3aS)-3a-hydroxy-1-imidazo[1,5-a]pyridin-6-yl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-thieno[2,3-b]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
SMILESCc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3ccc4c(c3)OCCN4)C1=N2.Cc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3ccc4cncn4c3)C1=N2.Cc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3ccc4sc(C)nc4c3)C1=N2.Cc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3ccn4nccc4c3)C1=N2.Cc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3cnc4sccc4c3)C1=N2
InChIInChI=1S/C20H19N3O3.C20H17N3O2S.2C19H16N4O2.C19H15N3O2S/c1-12-2-4-15-14(10-12)18(24)20(25)6-8-23(19(20)22-15)13-3-5-16-17(11-13)26-9-7-21-16;1-11-3-5-15-14(9-11)18(24)20(25)7-8-23(19(20)22-15)13-4-6-17-16(10-13)21-12(2)26-17;1-12-2-5-16-15(8-12)17(24)19(25)6-7-23(18(19)21-16)14-4-3-13-9-20-11-22(13)10-14;1-12-2-3-16-15(10-12)17(24)19(25)6-9-22(18(19)21-16)13-5-8-23-14(11-13)4-7-20-23;1-11-2-3-15-14(8-11)16(23)19(24)5-6-22(18(19)21-15)13-9-12-4-7-25-17(12)20-10-13/h2-5,10-11,21,25H,6-9H2,1H3;3-6,9-10,25H,7-8H2,1-2H3;2-5,8-11,25H,6-7H2,1H3;2-5,7-8,10-11,25H,6,9H2,1H3;2-4,7-10,24H,5-6H2,1H3/t2*20-;3*19-/m11111/s1
InChIKeyFFMSNGUMLZYRQU-TXBDOZRFSA-N
XLogP14.94
TPSA346.14 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds5
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001726.97
LogP ≤ 514.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze (3aS)-3a-hydroxy-1-imidazo[1,5-a]pyridin-6-yl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-thieno[2,3-b]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one with MolForge

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Related Compounds

N-[[6-(1,3-benzothiazol-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;ethane;3-methyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,2-oxazole;6-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]quinoline
CID 143611179
(3aS)-3a-hydroxy-6,7-dimethyl-1-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6,7-dimethyl-1-thieno[2,3-b]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-(2-aminoquinolin-6-yl)-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-3a-hydroxy-6,7-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
CID 158320084
3-[5-[4-(1-hydroxyethyl)phenyl]furan-2-yl]propanal;3-(5-imidazo[1,2-a]pyridin-7-ylfuran-2-yl)propanal;3-[5-(1H-indol-5-yl)furan-2-yl]propanal;3-[5-(1-methylindazol-5-yl)furan-2-yl]propanal;3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propanal;3-(5-morpholin-4-ylthiophen-2-yl)propanal;3-(5-phenylthiophen-2-yl)propanal;3-(5-pyridin-2-ylthiophen-2-yl)propanal
CID 159034061
2-[2-aminoethyl(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide;N-[2-[4-(aminomethyl)piperidin-1-yl]-5-methylphenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(3-amino-3-oxopropyl)-2-phenyl-1,3-thiazole-4-carboxamide;methane;10-(2-morpholin-4-ylethyl)-3-thia-7,10,11,14,21,25-hexazatetracyclo[18.3.1.12,5.08,12]pentacosa-1(24),2(25),4,8,11,20,22-heptaene-6,13-dione
CID 159148425
2-[[1-(1,3-benzothiazol-2-yl)-4,5-diisocyanoimidazol-2-yl]diazenyl]-N-(2-methoxyphenyl)-2-(4-oxo-3H-quinazolin-2-yl)acetamide;2-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(6-methoxy-3-oxo-4H-quinoxalin-2-yl)-N-(2-methoxyphenyl)acetamide;2-[(4,5-diisocyano-1-pyrimidin-2-ylimidazol-2-yl)diazenyl]-N-(2-methoxyphenyl)-2-(4-oxo-3H-quinazolin-2-yl)acetamide;2-[[4-(2-hydroxyacetyl)-1-pyridin-2-ylpyrazol-5-yl]diazenyl]-N-(2-methoxyphenyl)-2-(4-oxo-3H-quinazolin-2-yl)acetamide;N-(2-methoxyphenyl)-2-[(4-methylsulfonyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-(4-oxo-3H-quinazolin-2-yl)acetamide
CID 160070077
2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,8-naphthyridine;2-tert-butylpyrazolo[1,5-a]pyridine;2-tert-butylpyridine;3-tert-butylpyrido[3,4-b]pyrazine;2-tert-butylquinoline;2-tert-butylquinoxaline;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;carbanide;ethane;rhenium
CID 160713043
1-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide
CID 161471898
1-[4-[4-[4-(1,3-benzothiazol-5-yloxy)-3-methylanilino]quinazolin-6-yl]oxypiperidin-1-yl]ethanone;N,4-dimethyl-N-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]piperazine-1-carboxamide;2-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-1-(1-methylpiperidin-4-yl)ethanone;2-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxy-1-(4-methylpiperazin-1-yl)ethanone
CID 161871062
(3aS)-3a-hydroxy-6,7-dimethyl-1-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-thieno[2,3-b]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-thieno[3,2-b]pyridin-2-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
CID 162182360

Frequently Asked Questions

What is the IUPAC name of (3aS)-3a-hydroxy-1-imidazo[1,5-a]pyridin-6-yl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-thieno[2,3-b]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one?
The IUPAC name of (3aS)-3a-hydroxy-1-imidazo[1,5-a]pyridin-6-yl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-thieno[2,3-b]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one (CID 158016263) is (3aS)-3a-hydroxy-1-imidazo[1,5-a]pyridin-6-yl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-thieno[2,3-b]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one.
What is the SMILES notation for (3aS)-3a-hydroxy-1-imidazo[1,5-a]pyridin-6-yl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-thieno[2,3-b]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one?
The canonical SMILES for (3aS)-3a-hydroxy-1-imidazo[1,5-a]pyridin-6-yl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-thieno[2,3-b]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one is Cc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3ccc4c(c3)OCCN4)C1=N2.Cc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3ccc4cncn4c3)C1=N2.Cc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3ccc4sc(C)nc4c3)C1=N2.Cc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3ccn4nccc4c3)C1=N2.Cc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3cnc4sccc4c3)C1=N2.
What is the InChIKey of (3aS)-3a-hydroxy-1-imidazo[1,5-a]pyridin-6-yl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-thieno[2,3-b]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one?
The InChIKey is FFMSNGUMLZYRQU-TXBDOZRFSA-N. The full InChI is InChI=1S/C20H19N3O3.C20H17N3O2S.2C19H16N4O2.C19H15N3O2S/c1-12-2-4-15-14(10-12)18(24)20(25)6-8-23(19(20)22-15)13-3-5-16-17(11-13)26-9-7-21-16;1-11-3-5-15-14(9-11)18(24)20(25)7-8-23(19(20)22-15)13-4-6-17-16(10-13)21-12(2)26-17;1-12-2-5-16-15(8-12)17(24)19(25)6-7-23(18(19)21-16)14-4-3-13-9-20-11-22(13)10-14;1-12-2-3-16-15(10-12)17(24)19(25)6-9-22(18(19)21-16)13-5-8-23-14(11-13)4-7-20-23;1-11-2-3-15-14(8-11)16(23)19(24)5-6-22(18(19)21-15)13-9-12-4-7-25-17(12)20-10-13/h2-5,10-11,21,25H,6-9H2,1H3;3-6,9-10,25H,7-8H2,1-2H3;2-5,8-11,25H,6-7H2,1H3;2-5,7-8,10-11,25H,6,9H2,1H3;2-4,7-10,24H,5-6H2,1H3/t2*20-;3*19-/m11111/s1.
What are the key properties of (3aS)-3a-hydroxy-1-imidazo[1,5-a]pyridin-6-yl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-thieno[2,3-b]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one?
(3aS)-3a-hydroxy-1-imidazo[1,5-a]pyridin-6-yl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-thieno[2,3-b]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one has a molecular weight of 1726.97 g/mol, XLogP of 14.94, 5 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS)-3a-hydroxy-1-imidazo[1,5-a]pyridin-6-yl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-thieno[2,3-b]pyridin-5-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one is sourced from PubChem (CID 158016263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).