N,1-bis[(4-methoxyphenyl)methyl]-2,3-dimethyl-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;N,1-bis[(4-methoxyphenyl)methyl]-3-methyl-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;3-bromo-N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;[1-[(4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-3-methyl-7-(1H-pyrazol-5-yl)pyrrolo[3,2-c]quinolin-2-yl]methanol

C193H206BrN25O21 — CID 160823559

IUPACN,1-bis[(4-methoxyphenyl)methyl]-2,3-dimethyl-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;N,1-bis[(4-methoxyphenyl)methyl]-3-methyl-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;3-bromo-N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;[1-[(4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-3-methyl-7-(1H-pyrazol-5-yl)pyrrolo[3,2-c]quinolin-2-yl]methanol
SMILESCOc1ccc(CNc2nc3cc(-c4ccn[nH]4)ccc3c3c2c(C)c(CO)n3Cc2ccc(OC)cc2)cc1.COc1ccc(CNc2nc3cc(-c4ccnn4C4CCCCO4)ccc3c3c2c(Br)c(COC2CCCCO2)n3Cc2ccc(OC)cc2)cc1.COc1ccc(CNc2nc3cc(-c4ccnn4C4CCCCO4)ccc3c3c2c(C)c(C)n3Cc2ccc(OC)cc2)cc1.COc1ccc(CNc2nc3cc(-c4ccnn4C4CCCCO4)ccc3c3c2c(C)c(COC2CCCCO2)n3Cc2ccc(OC)cc2)cc1.COc1ccc(CNc2nc3cc(-c4ccnn4C4CCCCO4)ccc3c3c2cc(COC2CCCCO2)n3Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C42H47N5O5.C41H44BrN5O5.C41H45N5O5.C37H39N5O3.C32H31N5O3/c1-28-37(27-52-39-9-5-7-23-51-39)46(26-30-12-17-33(49-3)18-13-30)41-34-19-14-31(36-20-21-44-47(36)38-8-4-6-22-50-38)24-35(34)45-42(40(28)41)43-25-29-10-15-32(48-2)16-11-29;1-48-30-14-9-27(10-15-30)24-43-41-38-39(42)35(26-52-37-8-4-6-22-51-37)46(25-28-11-16-31(49-2)17-12-28)40(38)32-18-13-29(23-33(32)45-41)34-19-20-44-47(34)36-7-3-5-21-50-36;1-47-32-14-9-28(10-15-32)25-42-41-35-24-31(27-51-39-8-4-6-22-50-39)45(26-29-11-16-33(48-2)17-12-29)40(35)34-18-13-30(23-36(34)44-41)37-19-20-43-46(37)38-7-3-5-21-49-38;1-24-25(2)41(23-27-10-15-30(44-4)16-11-27)36-31-17-12-28(33-18-19-39-42(33)34-7-5-6-20-45-34)21-32(31)40-37(35(24)36)38-22-26-8-13-29(43-3)14-9-26;1-20-29(19-38)37(18-22-6-11-25(40-3)12-7-22)31-26-13-8-23(27-14-15-34-36-27)16-28(26)35-32(30(20)31)33-17-21-4-9-24(39-2)10-5-21/h10-21,24,38-39H,4-9,22-23,25-27H2,1-3H3,(H,43,45);9-20,23,36-37H,3-8,21-22,24-26H2,1-2H3,(H,43,45);9-20,23-24,38-39H,3-8,21-22,25-27H2,1-2H3,(H,42,44);8-19,21,34H,5-7,20,22-23H2,1-4H3,(H,38,40);4-16,38H,17-19H2,1-3H3,(H,33,35)(H,34,36)
InChIKeySFVZOYYIGOUOLH-UHFFFAOYSA-N
MW3291.83 g/mol
LogP40.59
Rot. Bonds54

About N,1-bis[(4-methoxyphenyl)methyl]-2,3-dimethyl-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;N,1-bis[(4-methoxyphenyl)methyl]-3-methyl-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;3-bromo-N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;[1-[(4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-3-methyl-7-(1H-pyrazol-5-yl)pyrrolo[3,2-c]quinolin-2-yl]methanol

N,1-bis[(4-methoxyphenyl)methyl]-2,3-dimethyl-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;N,1-bis[(4-methoxyphenyl)methyl]-3-methyl-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;3-bromo-N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;[1-[(4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-3-methyl-7-(1H-pyrazol-5-yl)pyrrolo[3,2-c]quinolin-2-yl]methanol (PubChem CID 160823559) has the molecular formula C193H206BrN25O21 and a molecular weight of 3291.83 g/mol. Its IUPAC name is N,1-bis[(4-methoxyphenyl)methyl]-2,3-dimethyl-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;N,1-bis[(4-methoxyphenyl)methyl]-3-methyl-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;3-bromo-N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;[1-[(4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-3-methyl-7-(1H-pyrazol-5-yl)pyrrolo[3,2-c]quinolin-2-yl]methanol.

Molecular Properties

Compound NameN,1-bis[(4-methoxyphenyl)methyl]-2,3-dimethyl-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;N,1-bis[(4-methoxyphenyl)methyl]-3-methyl-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;3-bromo-N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;[1-[(4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-3-methyl-7-(1H-pyrazol-5-yl)pyrrolo[3,2-c]quinolin-2-yl]methanol
PubChem CID160823559
Molecular FormulaC193H206BrN25O21
Molecular Weight3291.83 g/mol
Exact Mass3288.50
IUPAC NameN,1-bis[(4-methoxyphenyl)methyl]-2,3-dimethyl-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;N,1-bis[(4-methoxyphenyl)methyl]-3-methyl-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;3-bromo-N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;[1-[(4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-3-methyl-7-(1H-pyrazol-5-yl)pyrrolo[3,2-c]quinolin-2-yl]methanol
SMILESCOc1ccc(CNc2nc3cc(-c4ccn[nH]4)ccc3c3c2c(C)c(CO)n3Cc2ccc(OC)cc2)cc1.COc1ccc(CNc2nc3cc(-c4ccnn4C4CCCCO4)ccc3c3c2c(Br)c(COC2CCCCO2)n3Cc2ccc(OC)cc2)cc1.COc1ccc(CNc2nc3cc(-c4ccnn4C4CCCCO4)ccc3c3c2c(C)c(C)n3Cc2ccc(OC)cc2)cc1.COc1ccc(CNc2nc3cc(-c4ccnn4C4CCCCO4)ccc3c3c2c(C)c(COC2CCCCO2)n3Cc2ccc(OC)cc2)cc1.COc1ccc(CNc2nc3cc(-c4ccnn4C4CCCCO4)ccc3c3c2cc(COC2CCCCO2)n3Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C42H47N5O5.C41H44BrN5O5.C41H45N5O5.C37H39N5O3.C32H31N5O3/c1-28-37(27-52-39-9-5-7-23-51-39)46(26-30-12-17-33(49-3)18-13-30)41-34-19-14-31(36-20-21-44-47(36)38-8-4-6-22-50-38)24-35(34)45-42(40(28)41)43-25-29-10-15-32(48-2)16-11-29;1-48-30-14-9-27(10-15-30)24-43-41-38-39(42)35(26-52-37-8-4-6-22-51-37)46(25-28-11-16-31(49-2)17-12-28)40(38)32-18-13-29(23-33(32)45-41)34-19-20-44-47(34)36-7-3-5-21-50-36;1-47-32-14-9-28(10-15-32)25-42-41-35-24-31(27-51-39-8-4-6-22-50-39)45(26-29-11-16-33(48-2)17-12-29)40(35)34-18-13-30(23-36(34)44-41)37-19-20-43-46(37)38-7-3-5-21-49-38;1-24-25(2)41(23-27-10-15-30(44-4)16-11-27)36-31-17-12-28(33-18-19-39-42(33)34-7-5-6-20-45-34)21-32(31)40-37(35(24)36)38-22-26-8-13-29(43-3)14-9-26;1-20-29(19-38)37(18-22-6-11-25(40-3)12-7-22)31-26-13-8-23(27-14-15-34-36-27)16-28(26)35-32(30(20)31)33-17-21-4-9-24(39-2)10-5-21/h10-21,24,38-39H,4-9,22-23,25-27H2,1-3H3,(H,43,45);9-20,23,36-37H,3-8,21-22,24-26H2,1-2H3,(H,43,45);9-20,23-24,38-39H,3-8,21-22,25-27H2,1-2H3,(H,42,44);8-19,21,34H,5-7,20,22-23H2,1-4H3,(H,38,40);4-16,38H,17-19H2,1-3H3,(H,33,35)(H,34,36)
InChIKeySFVZOYYIGOUOLH-UHFFFAOYSA-N
XLogP40.59
TPSA454.04 Ų
H-Bond Donors7
H-Bond Acceptors45
Rotatable Bonds54
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003291.83
LogP ≤ 540.59
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1045

Analyze N,1-bis[(4-methoxyphenyl)methyl]-2,3-dimethyl-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;N,1-bis[(4-methoxyphenyl)methyl]-3-methyl-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;3-bromo-N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;[1-[(4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-3-methyl-7-(1H-pyrazol-5-yl)pyrrolo[3,2-c]quinolin-2-yl]methanol with MolForge

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Related Compounds

N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine
CID 155679592
3-bromo-N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine
CID 155679614
N,1-bis[(4-methoxyphenyl)methyl]-3-methyl-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine
CID 155679631
2-bromo-9-pyridin-2-ylcarbazole;[(E)-[(E)-[(E)-[(E)-[(E)-hydrazinylidenehydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]-oxoplatinum;1H-indazole;2-(3-indazol-1-ylbenzene-2-id-1-yl)oxy-9-pyridin-2-yl-1H-carbazol-1-ide;3-indazol-1-ylphenol;2-(3-indazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole;1-iodo-3-methoxybenzene;1-(3-methoxyphenyl)indazole;platinum(2+)
CID 157562932
N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;7-bromo-N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)pyrrolo[3,2-c]quinolin-4-amine;7-bromo-5-hydroxy-1-[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)pyrrolo[3,2-c]quinolin-5-ium;7-bromo-3-iodo-N-[(4-methoxyphenyl)methyl]quinolin-4-amine;7-bromo-1-[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)pyrrolo[3,2-c]quinoline;7-bromo-N-[(4-methoxyphenyl)methyl]-3-[3-(oxan-2-yloxy)prop-1-ynyl]quinolin-4-amine;[1-[(4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-7-(1H-pyrazol-5-yl)pyrrolo[3,2-c]quinolin-2-yl]methanol;5-methyl-1-(oxan-2-yl)pyrazole;2-prop-2-ynoxyoxane
CID 157586017
2-bromo-9-pyridin-2-ylcarbazole;[(E)-[(E)-[(E)-[(E)-[(E)-hydrazinylidenehydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]hydrazinylidene]-oxoplatinum;1H-indazole;2-(3-indazol-1-ylbenzene-2-id-1-yl)oxy-9-pyridin-2-yl-1H-carbazol-1-ide;3-indazol-1-ylphenol;2-(3-indazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole;1-iodo-3-methoxybenzene;methane;1-(3-methoxyphenyl)indazole;platinum(2+)
CID 160526079
2-bromo-6-(5-methyl-1H-pyrazol-3-yl)pyridine;9-bromo-4-methyl-2,3,8,16-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene;2,3-dibromopyridine;4-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,3,8,16-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene;9-pyridin-2-ylcarbazol-2-ol
CID 160580583
dicesium;2-(4-amino-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-2-yl)ethanol;2-(4-amino-7-pyrazol-1-ylpyrazolo[4,5-c]quinolin-1-yl)ethanol;N,2-bis[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylpyrazolo[4,3-c]quinolin-4-amine;7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-amine;2-bromoethanol;hydride;oxido formate;1H-pyrazole;7-pyrazol-1-yl-1H-pyrazolo[4,5-c]quinolin-4-amine
CID 160802852
1-(3-bromo-5-tert-butylphenyl)-3,5-dimethyl-4-phenylpyrazole;2-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-9-(4-methyl-2-pyridinyl)carbazole;1,3-dibromo-5-tert-butylbenzene;3,5-dimethyl-4-phenyl-1H-pyrazole;9-(4-methyl-2-pyridinyl)carbazol-2-ol;platinum;platinum(2+);propan-1-ol
CID 161434338
2-bromo-6-(5-methyl-1H-pyrazol-3-yl)pyridine;9-bromo-4-methyl-2,3,8,16-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene;3,4-dibromopyridine;4-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,3,8,16-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene;9-pyridin-2-ylcarbazol-2-ol
CID 162120466
2-bromo-6-(5-methyl-1H-pyrazol-3-yl)pyridine;9-bromo-4-methyl-2,3,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;1,2-dibromobenzene;4-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,3,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;9-pyridin-2-ylcarbazol-2-ol
CID 162223439

Frequently Asked Questions

What is the IUPAC name of N,1-bis[(4-methoxyphenyl)methyl]-2,3-dimethyl-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;N,1-bis[(4-methoxyphenyl)methyl]-3-methyl-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;3-bromo-N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;[1-[(4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-3-methyl-7-(1H-pyrazol-5-yl)pyrrolo[3,2-c]quinolin-2-yl]methanol?
The IUPAC name of N,1-bis[(4-methoxyphenyl)methyl]-2,3-dimethyl-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;N,1-bis[(4-methoxyphenyl)methyl]-3-methyl-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;3-bromo-N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;[1-[(4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-3-methyl-7-(1H-pyrazol-5-yl)pyrrolo[3,2-c]quinolin-2-yl]methanol (CID 160823559) is N,1-bis[(4-methoxyphenyl)methyl]-2,3-dimethyl-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;N,1-bis[(4-methoxyphenyl)methyl]-3-methyl-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;3-bromo-N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;[1-[(4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-3-methyl-7-(1H-pyrazol-5-yl)pyrrolo[3,2-c]quinolin-2-yl]methanol.
What is the SMILES notation for N,1-bis[(4-methoxyphenyl)methyl]-2,3-dimethyl-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;N,1-bis[(4-methoxyphenyl)methyl]-3-methyl-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;3-bromo-N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;[1-[(4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-3-methyl-7-(1H-pyrazol-5-yl)pyrrolo[3,2-c]quinolin-2-yl]methanol?
The canonical SMILES for N,1-bis[(4-methoxyphenyl)methyl]-2,3-dimethyl-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;N,1-bis[(4-methoxyphenyl)methyl]-3-methyl-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;3-bromo-N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;[1-[(4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-3-methyl-7-(1H-pyrazol-5-yl)pyrrolo[3,2-c]quinolin-2-yl]methanol is COc1ccc(CNc2nc3cc(-c4ccn[nH]4)ccc3c3c2c(C)c(CO)n3Cc2ccc(OC)cc2)cc1.COc1ccc(CNc2nc3cc(-c4ccnn4C4CCCCO4)ccc3c3c2c(Br)c(COC2CCCCO2)n3Cc2ccc(OC)cc2)cc1.COc1ccc(CNc2nc3cc(-c4ccnn4C4CCCCO4)ccc3c3c2c(C)c(C)n3Cc2ccc(OC)cc2)cc1.COc1ccc(CNc2nc3cc(-c4ccnn4C4CCCCO4)ccc3c3c2c(C)c(COC2CCCCO2)n3Cc2ccc(OC)cc2)cc1.COc1ccc(CNc2nc3cc(-c4ccnn4C4CCCCO4)ccc3c3c2cc(COC2CCCCO2)n3Cc2ccc(OC)cc2)cc1.
What is the InChIKey of N,1-bis[(4-methoxyphenyl)methyl]-2,3-dimethyl-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;N,1-bis[(4-methoxyphenyl)methyl]-3-methyl-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;3-bromo-N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;[1-[(4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-3-methyl-7-(1H-pyrazol-5-yl)pyrrolo[3,2-c]quinolin-2-yl]methanol?
The InChIKey is SFVZOYYIGOUOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H47N5O5.C41H44BrN5O5.C41H45N5O5.C37H39N5O3.C32H31N5O3/c1-28-37(27-52-39-9-5-7-23-51-39)46(26-30-12-17-33(49-3)18-13-30)41-34-19-14-31(36-20-21-44-47(36)38-8-4-6-22-50-38)24-35(34)45-42(40(28)41)43-25-29-10-15-32(48-2)16-11-29;1-48-30-14-9-27(10-15-30)24-43-41-38-39(42)35(26-52-37-8-4-6-22-51-37)46(25-28-11-16-31(49-2)17-12-28)40(38)32-18-13-29(23-33(32)45-41)34-19-20-44-47(34)36-7-3-5-21-50-36;1-47-32-14-9-28(10-15-32)25-42-41-35-24-31(27-51-39-8-4-6-22-50-39)45(26-29-11-16-33(48-2)17-12-29)40(35)34-18-13-30(23-36(34)44-41)37-19-20-43-46(37)38-7-3-5-21-49-38;1-24-25(2)41(23-27-10-15-30(44-4)16-11-27)36-31-17-12-28(33-18-19-39-42(33)34-7-5-6-20-45-34)21-32(31)40-37(35(24)36)38-22-26-8-13-29(43-3)14-9-26;1-20-29(19-38)37(18-22-6-11-25(40-3)12-7-22)31-26-13-8-23(27-14-15-34-36-27)16-28(26)35-32(30(20)31)33-17-21-4-9-24(39-2)10-5-21/h10-21,24,38-39H,4-9,22-23,25-27H2,1-3H3,(H,43,45);9-20,23,36-37H,3-8,21-22,24-26H2,1-2H3,(H,43,45);9-20,23-24,38-39H,3-8,21-22,25-27H2,1-2H3,(H,42,44);8-19,21,34H,5-7,20,22-23H2,1-4H3,(H,38,40);4-16,38H,17-19H2,1-3H3,(H,33,35)(H,34,36).
What are the key properties of N,1-bis[(4-methoxyphenyl)methyl]-2,3-dimethyl-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;N,1-bis[(4-methoxyphenyl)methyl]-3-methyl-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;3-bromo-N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;[1-[(4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-3-methyl-7-(1H-pyrazol-5-yl)pyrrolo[3,2-c]quinolin-2-yl]methanol?
N,1-bis[(4-methoxyphenyl)methyl]-2,3-dimethyl-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;N,1-bis[(4-methoxyphenyl)methyl]-3-methyl-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;3-bromo-N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;[1-[(4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-3-methyl-7-(1H-pyrazol-5-yl)pyrrolo[3,2-c]quinolin-2-yl]methanol has a molecular weight of 3291.83 g/mol, XLogP of 40.59, 54 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis[(4-methoxyphenyl)methyl]-2,3-dimethyl-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;N,1-bis[(4-methoxyphenyl)methyl]-3-methyl-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;3-bromo-N,1-bis[(4-methoxyphenyl)methyl]-2-(oxan-2-yloxymethyl)-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-c]quinolin-4-amine;[1-[(4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-3-methyl-7-(1H-pyrazol-5-yl)pyrrolo[3,2-c]quinolin-2-yl]methanol is sourced from PubChem (CID 160823559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).