N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;methyl 3-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate;5-phenyl-3H-imidazo[4,5-c]quinolin-4-one

C121H126N16O19S — CID 160902086

IUPACN-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;methyl 3-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate;5-phenyl-3H-imidazo[4,5-c]quinolin-4-one
SMILESCCOc1cnccc1-c1nc2c(c(CC)nn2C2CCCC2)c(=O)[nH]1.COC(=O)c1cccc(-n2c(=O)n(Cc3ccccc3)c(=O)c3cccnc32)c1.COc1cc2c(cc1OC)[C@@H]1CN(C)CC[C@@H]1N=C2c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1.COc1ccc(C2=N[C@H](CO)Cc3cc(OC)c(OC)cc32)cc1OC.COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1.O=c1c2[nH]cnc2c2ccccc2n1-c1ccccc1
InChIInChI=1S/C28H31N3O4S.C22H17N3O4.C20H23NO5.C19H23N5O2.C16H11N3O.C16H21NO3/c1-18-5-11-21(12-6-18)36(32,33)30-20-9-7-19(8-10-20)28-23-16-27(35-4)26(34-3)15-22(23)24-17-31(2)14-13-25(24)29-28;1-29-21(27)16-9-5-10-17(13-16)25-19-18(11-6-12-23-19)20(26)24(22(25)28)14-15-7-3-2-4-8-15;1-23-16-6-5-12(8-17(16)24-2)20-15-10-19(26-4)18(25-3)9-13(15)7-14(11-22)21-20;1-3-14-16-18(24(23-14)12-7-5-6-8-12)21-17(22-19(16)25)13-9-10-20-11-15(13)26-4-2;20-16-15-14(17-10-18-15)12-8-4-5-9-13(12)19(16)11-6-2-1-3-7-11;1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h5-12,15-16,24-25,30H,13-14,17H2,1-4H3;2-13H,14H2,1H3;5-6,8-10,14,22H,7,11H2,1-4H3;9-12H,3-8H2,1-2H3,(H,21,22,25);1-10H,(H,17,18);6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)/t24-,25-;;14-;;;/m0.0.../s1
InChIKeySPQGYAMFFROSRA-AVTXBCBFSA-N
MW2140.50 g/mol
LogP18.05
Rot. Bonds26

About N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;methyl 3-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate;5-phenyl-3H-imidazo[4,5-c]quinolin-4-one

N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;methyl 3-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate;5-phenyl-3H-imidazo[4,5-c]quinolin-4-one (PubChem CID 160902086) has the molecular formula C121H126N16O19S and a molecular weight of 2140.50 g/mol. Its IUPAC name is N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;methyl 3-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate;5-phenyl-3H-imidazo[4,5-c]quinolin-4-one.

Molecular Properties

Compound NameN-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;methyl 3-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate;5-phenyl-3H-imidazo[4,5-c]quinolin-4-one
PubChem CID160902086
Molecular FormulaC121H126N16O19S
Molecular Weight2140.50 g/mol
Exact Mass2138.91
IUPAC NameN-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;methyl 3-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate;5-phenyl-3H-imidazo[4,5-c]quinolin-4-one
SMILESCCOc1cnccc1-c1nc2c(c(CC)nn2C2CCCC2)c(=O)[nH]1.COC(=O)c1cccc(-n2c(=O)n(Cc3ccccc3)c(=O)c3cccnc32)c1.COc1cc2c(cc1OC)[C@@H]1CN(C)CC[C@@H]1N=C2c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1.COc1ccc(C2=N[C@H](CO)Cc3cc(OC)c(OC)cc32)cc1OC.COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1.O=c1c2[nH]cnc2c2ccccc2n1-c1ccccc1
InChIInChI=1S/C28H31N3O4S.C22H17N3O4.C20H23NO5.C19H23N5O2.C16H11N3O.C16H21NO3/c1-18-5-11-21(12-6-18)36(32,33)30-20-9-7-19(8-10-20)28-23-16-27(35-4)26(34-3)15-22(23)24-17-31(2)14-13-25(24)29-28;1-29-21(27)16-9-5-10-17(13-16)25-19-18(11-6-12-23-19)20(26)24(22(25)28)14-15-7-3-2-4-8-15;1-23-16-6-5-12(8-17(16)24-2)20-15-10-19(26-4)18(25-3)9-13(15)7-14(11-22)21-20;1-3-14-16-18(24(23-14)12-7-5-6-8-12)21-17(22-19(16)25)13-9-10-20-11-15(13)26-4-2;20-16-15-14(17-10-18-15)12-8-4-5-9-13(12)19(16)11-6-2-1-3-7-11;1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h5-12,15-16,24-25,30H,13-14,17H2,1-4H3;2-13H,14H2,1H3;5-6,8-10,14,22H,7,11H2,1-4H3;9-12H,3-8H2,1-2H3,(H,21,22,25);1-10H,(H,17,18);6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)/t24-,25-;;14-;;;/m0.0.../s1
InChIKeySPQGYAMFFROSRA-AVTXBCBFSA-N
XLogP18.05
TPSA416.86 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds26
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002140.50
LogP ≤ 518.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Analyze N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;methyl 3-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate;5-phenyl-3H-imidazo[4,5-c]quinolin-4-one with MolForge

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Related Compounds

3H-benzimidazol-5-yl-[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]methanone;[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-(1H-indol-5-yl)methanone;[2-[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-2-oxoethyl]urea;[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone;N-[4-[4-[5-benzyl-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 157235028
5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide;5-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;methyl 3-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one
CID 157522948
N-[4-[(4aS,10bS)-8,9-dimethoxy-2-methyl-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one
CID 157878159
N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;(5R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide
CID 159255021
(2R,8R)-2-(1,3-benzodioxol-5-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione;2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 159554937
8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;methyl 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide
CID 159706608
5-(cyclobutylmethyl)-8-(3-nitrophenyl)-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene;2-[5-(3-cyclopentyloxy-4-methoxyphenyl)furan-2-yl]pyridine;N-[4-(8,9-diethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]-4-methylbenzenesulfonamide;9-ethoxy-6-[4-(2-ethyltetrazol-5-yl)phenyl]-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridine;4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)-N,N-dipropylbenzenesulfonamide;ethyl 4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)cyclohexane-1-carboxylate;methyl 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-4-methylpentanoate
CID 160946006
N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one
CID 161371980

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;methyl 3-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate;5-phenyl-3H-imidazo[4,5-c]quinolin-4-one?
The IUPAC name of N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;methyl 3-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate;5-phenyl-3H-imidazo[4,5-c]quinolin-4-one (CID 160902086) is N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;methyl 3-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate;5-phenyl-3H-imidazo[4,5-c]quinolin-4-one.
What is the SMILES notation for N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;methyl 3-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate;5-phenyl-3H-imidazo[4,5-c]quinolin-4-one?
The canonical SMILES for N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;methyl 3-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate;5-phenyl-3H-imidazo[4,5-c]quinolin-4-one is CCOc1cnccc1-c1nc2c(c(CC)nn2C2CCCC2)c(=O)[nH]1.COC(=O)c1cccc(-n2c(=O)n(Cc3ccccc3)c(=O)c3cccnc32)c1.COc1cc2c(cc1OC)[C@@H]1CN(C)CC[C@@H]1N=C2c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1.COc1ccc(C2=N[C@H](CO)Cc3cc(OC)c(OC)cc32)cc1OC.COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1.O=c1c2[nH]cnc2c2ccccc2n1-c1ccccc1.
What is the InChIKey of N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;methyl 3-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate;5-phenyl-3H-imidazo[4,5-c]quinolin-4-one?
The InChIKey is SPQGYAMFFROSRA-AVTXBCBFSA-N. The full InChI is InChI=1S/C28H31N3O4S.C22H17N3O4.C20H23NO5.C19H23N5O2.C16H11N3O.C16H21NO3/c1-18-5-11-21(12-6-18)36(32,33)30-20-9-7-19(8-10-20)28-23-16-27(35-4)26(34-3)15-22(23)24-17-31(2)14-13-25(24)29-28;1-29-21(27)16-9-5-10-17(13-16)25-19-18(11-6-12-23-19)20(26)24(22(25)28)14-15-7-3-2-4-8-15;1-23-16-6-5-12(8-17(16)24-2)20-15-10-19(26-4)18(25-3)9-13(15)7-14(11-22)21-20;1-3-14-16-18(24(23-14)12-7-5-6-8-12)21-17(22-19(16)25)13-9-10-20-11-15(13)26-4-2;20-16-15-14(17-10-18-15)12-8-4-5-9-13(12)19(16)11-6-2-1-3-7-11;1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h5-12,15-16,24-25,30H,13-14,17H2,1-4H3;2-13H,14H2,1H3;5-6,8-10,14,22H,7,11H2,1-4H3;9-12H,3-8H2,1-2H3,(H,21,22,25);1-10H,(H,17,18);6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)/t24-,25-;;14-;;;/m0.0.../s1.
What are the key properties of N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;methyl 3-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate;5-phenyl-3H-imidazo[4,5-c]quinolin-4-one?
N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;methyl 3-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate;5-phenyl-3H-imidazo[4,5-c]quinolin-4-one has a molecular weight of 2140.50 g/mol, XLogP of 18.05, 26 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;methyl 3-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate;5-phenyl-3H-imidazo[4,5-c]quinolin-4-one is sourced from PubChem (CID 160902086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).