(3aS)-1-(1,3-benzothiazol-6-yl)-6-fluoro-3a-hydroxy-7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-[3-chloro-4-(hydroxymethyl)phenyl]-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(7S)-7-hydroxy-11-methyl-4-quinolin-6-yl-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-8-one

C98H78ClF3N14O12S2 — CID 158690768

IUPAC(3aS)-1-(1,3-benzothiazol-6-yl)-6-fluoro-3a-hydroxy-7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-[3-chloro-4-(hydroxymethyl)phenyl]-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(7S)-7-hydroxy-11-methyl-4-quinolin-6-yl-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-8-one
SMILESCc1cc2c(cc1F)C(=O)[C@]1(O)CCN(c3ccc4ncccc4c3)C1=N2.Cc1cc2c(cc1F)C(=O)[C@]1(O)CCN(c3ccc4ncsc4c3)C1=N2.Cc1cc2c(s1)C(=O)[C@]1(O)CCN(c3ccc4ncccc4c3)C1=N2.Cc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3ccc(CO)c(Cl)c3)C1=N2.Cc1nc2cc(N3CC[C@@]4(O)C(=O)c5cc(F)c(C)cc5N=C34)ccc2o1
InChIInChI=1S/C21H16FN3O2.C20H16FN3O3.C19H17ClN2O3.C19H14FN3O2S.C19H15N3O2S/c1-12-9-18-15(11-16(12)22)19(26)21(27)6-8-25(20(21)24-18)14-4-5-17-13(10-14)3-2-7-23-17;1-10-7-15-13(9-14(10)21)18(25)20(26)5-6-24(19(20)23-15)12-3-4-17-16(8-12)22-11(2)27-17;1-11-2-5-16-14(8-11)17(24)19(25)6-7-22(18(19)21-16)13-4-3-12(10-23)15(20)9-13;1-10-6-15-12(8-13(10)20)17(24)19(25)4-5-23(18(19)22-15)11-2-3-14-16(7-11)26-9-21-14;1-11-9-15-16(25-11)17(23)19(24)6-8-22(18(19)21-15)13-4-5-14-12(10-13)3-2-7-20-14/h2-5,7,9-11,27H,6,8H2,1H3;3-4,7-9,26H,5-6H2,1-2H3;2-5,8-9,23,25H,6-7,10H2,1H3;2-3,6-9,25H,4-5H2,1H3;2-5,7,9-10,24H,6,8H2,1H3/t21-;20-;3*19-/m11111/s1
InChIKeyIGHZQQHCHLNMJD-UNMKSZRGSA-N
MW1800.37 g/mol
LogP17.09
Rot. Bonds6

About (3aS)-1-(1,3-benzothiazol-6-yl)-6-fluoro-3a-hydroxy-7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-[3-chloro-4-(hydroxymethyl)phenyl]-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(7S)-7-hydroxy-11-methyl-4-quinolin-6-yl-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-8-one

(3aS)-1-(1,3-benzothiazol-6-yl)-6-fluoro-3a-hydroxy-7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-[3-chloro-4-(hydroxymethyl)phenyl]-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(7S)-7-hydroxy-11-methyl-4-quinolin-6-yl-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-8-one (PubChem CID 158690768) has the molecular formula C98H78ClF3N14O12S2 and a molecular weight of 1800.37 g/mol. Its IUPAC name is (3aS)-1-(1,3-benzothiazol-6-yl)-6-fluoro-3a-hydroxy-7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-[3-chloro-4-(hydroxymethyl)phenyl]-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(7S)-7-hydroxy-11-methyl-4-quinolin-6-yl-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-8-one.

Molecular Properties

Compound Name(3aS)-1-(1,3-benzothiazol-6-yl)-6-fluoro-3a-hydroxy-7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-[3-chloro-4-(hydroxymethyl)phenyl]-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(7S)-7-hydroxy-11-methyl-4-quinolin-6-yl-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-8-one
PubChem CID158690768
Molecular FormulaC98H78ClF3N14O12S2
Molecular Weight1800.37 g/mol
Exact Mass1798.50
IUPAC Name(3aS)-1-(1,3-benzothiazol-6-yl)-6-fluoro-3a-hydroxy-7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-[3-chloro-4-(hydroxymethyl)phenyl]-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(7S)-7-hydroxy-11-methyl-4-quinolin-6-yl-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-8-one
SMILESCc1cc2c(cc1F)C(=O)[C@]1(O)CCN(c3ccc4ncccc4c3)C1=N2.Cc1cc2c(cc1F)C(=O)[C@]1(O)CCN(c3ccc4ncsc4c3)C1=N2.Cc1cc2c(s1)C(=O)[C@]1(O)CCN(c3ccc4ncccc4c3)C1=N2.Cc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3ccc(CO)c(Cl)c3)C1=N2.Cc1nc2cc(N3CC[C@@]4(O)C(=O)c5cc(F)c(C)cc5N=C34)ccc2o1
InChIInChI=1S/C21H16FN3O2.C20H16FN3O3.C19H17ClN2O3.C19H14FN3O2S.C19H15N3O2S/c1-12-9-18-15(11-16(12)22)19(26)21(27)6-8-25(20(21)24-18)14-4-5-17-13(10-14)3-2-7-23-17;1-10-7-15-13(9-14(10)21)18(25)20(26)5-6-24(19(20)23-15)12-3-4-17-16(8-12)22-11(2)27-17;1-11-2-5-16-14(8-11)17(24)19(25)6-7-22(18(19)21-16)13-4-3-12(10-23)15(20)9-13;1-10-6-15-12(8-13(10)20)17(24)19(25)4-5-23(18(19)22-15)11-2-3-14-16(7-11)26-9-21-14;1-11-9-15-16(25-11)17(23)19(24)6-8-22(18(19)21-15)13-4-5-14-12(10-13)3-2-7-20-14/h2-5,7,9-11,27H,6,8H2,1H3;3-4,7-9,26H,5-6H2,1-2H3;2-5,8-9,23,25H,6-7,10H2,1H3;2-3,6-9,25H,4-5H2,1H3;2-5,7,9-10,24H,6,8H2,1H3/t21-;20-;3*19-/m11111/s1
InChIKeyIGHZQQHCHLNMJD-UNMKSZRGSA-N
XLogP17.09
TPSA349.43 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds6
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001800.37
LogP ≤ 517.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze (3aS)-1-(1,3-benzothiazol-6-yl)-6-fluoro-3a-hydroxy-7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-[3-chloro-4-(hydroxymethyl)phenyl]-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(7S)-7-hydroxy-11-methyl-4-quinolin-6-yl-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-8-one with MolForge

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Launch Full Analysis

Related Compounds

(3aS)-3a-hydroxy-6,7-dimethyl-1-(2-methyl-1,3-benzoxazol-6-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6,7-dimethyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-1-quinolin-6-yl-6-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(9S)-5-ethyl-9-hydroxy-12-quinolin-6-yl-4-thia-2,12-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5-trien-8-one;(9S)-9-hydroxy-5-methyl-12-quinolin-6-yl-4-thia-2,12-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5-trien-8-one
CID 158078905
(3aS)-3a-hydroxy-6,7-dimethyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-1-(4-iodophenyl)-6,7-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-(1-benzofuran-6-yl)-3a-hydroxy-6-methyl-7-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-(1,3-benzothiazol-5-yl)-3a-hydroxy-6,7-dimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(9S)-9-hydroxy-12-(4-iodophenyl)-5,6-dimethyl-4-thia-2,12-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5-trien-8-one
CID 159951998
(3aS)-3a-hydroxy-6,7-dimethyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-(1,3-benzothiazol-6-yl)-3a-hydroxy-6-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(9S)-5-ethyl-9-hydroxy-12-quinolin-6-yl-4-thia-2,12-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5-trien-8-one
CID 160933359
(3aS)-3a-hydroxy-1-isoquinolin-7-yl-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-1-(2-methoxy-4-pyridinyl)-6-methyl-7-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6-methyl-1-quinolin-7-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-(1,3-benzothiazol-6-yl)-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(7S)-4-(3-chloro-4-methylphenyl)-7-hydroxy-11-methyl-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-8-one
CID 161129685
(3aS)-3a-hydroxy-6-methyl-1-(3-methylquinolin-6-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-(1,3-benzothiazol-6-yl)-6-fluoro-3a-hydroxy-7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-[3-chloro-4-(hydroxymethyl)phenyl]-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;2-chloro-4-[(7S)-7-hydroxy-11-methyl-8-oxo-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-4-yl]benzonitrile;(7S)-7-hydroxy-11-methyl-4-quinolin-6-yl-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-8-one
CID 160990866

Frequently Asked Questions

What is the IUPAC name of (3aS)-1-(1,3-benzothiazol-6-yl)-6-fluoro-3a-hydroxy-7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-[3-chloro-4-(hydroxymethyl)phenyl]-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(7S)-7-hydroxy-11-methyl-4-quinolin-6-yl-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-8-one?
The IUPAC name of (3aS)-1-(1,3-benzothiazol-6-yl)-6-fluoro-3a-hydroxy-7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-[3-chloro-4-(hydroxymethyl)phenyl]-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(7S)-7-hydroxy-11-methyl-4-quinolin-6-yl-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-8-one (CID 158690768) is (3aS)-1-(1,3-benzothiazol-6-yl)-6-fluoro-3a-hydroxy-7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-[3-chloro-4-(hydroxymethyl)phenyl]-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(7S)-7-hydroxy-11-methyl-4-quinolin-6-yl-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-8-one.
What is the SMILES notation for (3aS)-1-(1,3-benzothiazol-6-yl)-6-fluoro-3a-hydroxy-7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-[3-chloro-4-(hydroxymethyl)phenyl]-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(7S)-7-hydroxy-11-methyl-4-quinolin-6-yl-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-8-one?
The canonical SMILES for (3aS)-1-(1,3-benzothiazol-6-yl)-6-fluoro-3a-hydroxy-7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-[3-chloro-4-(hydroxymethyl)phenyl]-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(7S)-7-hydroxy-11-methyl-4-quinolin-6-yl-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-8-one is Cc1cc2c(cc1F)C(=O)[C@]1(O)CCN(c3ccc4ncccc4c3)C1=N2.Cc1cc2c(cc1F)C(=O)[C@]1(O)CCN(c3ccc4ncsc4c3)C1=N2.Cc1cc2c(s1)C(=O)[C@]1(O)CCN(c3ccc4ncccc4c3)C1=N2.Cc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3ccc(CO)c(Cl)c3)C1=N2.Cc1nc2cc(N3CC[C@@]4(O)C(=O)c5cc(F)c(C)cc5N=C34)ccc2o1.
What is the InChIKey of (3aS)-1-(1,3-benzothiazol-6-yl)-6-fluoro-3a-hydroxy-7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-[3-chloro-4-(hydroxymethyl)phenyl]-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(7S)-7-hydroxy-11-methyl-4-quinolin-6-yl-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-8-one?
The InChIKey is IGHZQQHCHLNMJD-UNMKSZRGSA-N. The full InChI is InChI=1S/C21H16FN3O2.C20H16FN3O3.C19H17ClN2O3.C19H14FN3O2S.C19H15N3O2S/c1-12-9-18-15(11-16(12)22)19(26)21(27)6-8-25(20(21)24-18)14-4-5-17-13(10-14)3-2-7-23-17;1-10-7-15-13(9-14(10)21)18(25)20(26)5-6-24(19(20)23-15)12-3-4-17-16(8-12)22-11(2)27-17;1-11-2-5-16-14(8-11)17(24)19(25)6-7-22(18(19)21-16)13-4-3-12(10-23)15(20)9-13;1-10-6-15-12(8-13(10)20)17(24)19(25)4-5-23(18(19)22-15)11-2-3-14-16(7-11)26-9-21-14;1-11-9-15-16(25-11)17(23)19(24)6-8-22(18(19)21-15)13-4-5-14-12(10-13)3-2-7-20-14/h2-5,7,9-11,27H,6,8H2,1H3;3-4,7-9,26H,5-6H2,1-2H3;2-5,8-9,23,25H,6-7,10H2,1H3;2-3,6-9,25H,4-5H2,1H3;2-5,7,9-10,24H,6,8H2,1H3/t21-;20-;3*19-/m11111/s1.
What are the key properties of (3aS)-1-(1,3-benzothiazol-6-yl)-6-fluoro-3a-hydroxy-7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-[3-chloro-4-(hydroxymethyl)phenyl]-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(7S)-7-hydroxy-11-methyl-4-quinolin-6-yl-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-8-one?
(3aS)-1-(1,3-benzothiazol-6-yl)-6-fluoro-3a-hydroxy-7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-[3-chloro-4-(hydroxymethyl)phenyl]-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(7S)-7-hydroxy-11-methyl-4-quinolin-6-yl-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-8-one has a molecular weight of 1800.37 g/mol, XLogP of 17.09, 6 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS)-1-(1,3-benzothiazol-6-yl)-6-fluoro-3a-hydroxy-7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-[3-chloro-4-(hydroxymethyl)phenyl]-3a-hydroxy-6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(7S)-7-hydroxy-11-methyl-4-quinolin-6-yl-10-thia-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,11-trien-8-one is sourced from PubChem (CID 158690768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).