5-chloro-1H-indole;8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[3,4-c]quinolin-4-one;1-(chloromethyl)-4-methoxybenzene;4,8-dichloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;hydrazine;bis((4-methoxyphenyl)methylhydrazine);1-methylpiperazine;phosphoryl trichloride

C112H121Cl11N21O14P — CID 160675402

IUPAC5-chloro-1H-indole;8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[3,4-c]quinolin-4-one;1-(chloromethyl)-4-methoxybenzene;4,8-dichloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;hydrazine;bis((4-methoxyphenyl)methylhydrazine);1-methylpiperazine;phosphoryl trichloride
SMILESCCOC(=O)C(=O)Cl.CCOC(=O)C(=O)c1c[nH]c2ccc(Cl)cc12.CN1CCNCC1.COc1ccc(CCl)cc1.COc1ccc(CNN)cc1.COc1ccc(CNN)cc1.COc1ccc(Cn2cc3c(n2)c(=O)[nH]c2ccc(Cl)cc23)cc1.COc1ccc(Cn2cc3c(n2)c(Cl)nc2ccc(Cl)cc23)cc1.COc1ccc(Cn2cc3c(n2)c(N2CCN(C)CC2)nc2ccc(Cl)cc23)cc1.Clc1ccc2[nH]ccc2c1.NN.O=P(Cl)(Cl)Cl
InChIInChI=1S/C23H24ClN5O.C18H13Cl2N3O.C18H14ClN3O2.C12H10ClNO3.C8H6ClN.C8H9ClO.2C8H12N2O.C5H12N2.C4H5ClO3.Cl3OP.H4N2/c1-27-9-11-28(12-10-27)23-22-20(19-13-17(24)5-8-21(19)25-23)15-29(26-22)14-16-3-6-18(30-2)7-4-16;1-24-13-5-2-11(3-6-13)9-23-10-15-14-8-12(19)4-7-16(14)21-18(20)17(15)22-23;1-24-13-5-2-11(3-6-13)9-22-10-15-14-8-12(19)4-7-16(14)20-18(23)17(15)21-22;1-2-17-12(16)11(15)9-6-14-10-4-3-7(13)5-8(9)10;9-7-1-2-8-6(5-7)3-4-10-8;1-10-8-4-2-7(6-9)3-5-8;2*1-11-8-4-2-7(3-5-8)6-10-9;1-7-4-2-6-3-5-7;1-2-8-4(7)3(5)6;1-5(2,3)4;1-2/h3-8,13,15H,9-12,14H2,1-2H3;2-8,10H,9H2,1H3;2-8,10H,9H2,1H3,(H,20,23);3-6,14H,2H2,1H3;1-5,10H;2-5H,6H2,1H3;2*2-5,10H,6,9H2,1H3;6H,2-5H2,1H3;2H2,1H3;;1-2H2
InChIKeyRNLQJLDDAXDYGV-UHFFFAOYSA-N
MW2406.29 g/mol
LogP23.19
Rot. Bonds23

About 5-chloro-1H-indole;8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[3,4-c]quinolin-4-one;1-(chloromethyl)-4-methoxybenzene;4,8-dichloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;hydrazine;bis((4-methoxyphenyl)methylhydrazine);1-methylpiperazine;phosphoryl trichloride

5-chloro-1H-indole;8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[3,4-c]quinolin-4-one;1-(chloromethyl)-4-methoxybenzene;4,8-dichloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;hydrazine;bis((4-methoxyphenyl)methylhydrazine);1-methylpiperazine;phosphoryl trichloride (PubChem CID 160675402) has the molecular formula C112H121Cl11N21O14P and a molecular weight of 2406.29 g/mol. Its IUPAC name is 5-chloro-1H-indole;8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[3,4-c]quinolin-4-one;1-(chloromethyl)-4-methoxybenzene;4,8-dichloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;hydrazine;bis((4-methoxyphenyl)methylhydrazine);1-methylpiperazine;phosphoryl trichloride.

Molecular Properties

Compound Name5-chloro-1H-indole;8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[3,4-c]quinolin-4-one;1-(chloromethyl)-4-methoxybenzene;4,8-dichloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;hydrazine;bis((4-methoxyphenyl)methylhydrazine);1-methylpiperazine;phosphoryl trichloride
PubChem CID160675402
Molecular FormulaC112H121Cl11N21O14P
Molecular Weight2406.29 g/mol
Exact Mass2399.57
IUPAC Name5-chloro-1H-indole;8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[3,4-c]quinolin-4-one;1-(chloromethyl)-4-methoxybenzene;4,8-dichloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;hydrazine;bis((4-methoxyphenyl)methylhydrazine);1-methylpiperazine;phosphoryl trichloride
SMILESCCOC(=O)C(=O)Cl.CCOC(=O)C(=O)c1c[nH]c2ccc(Cl)cc12.CN1CCNCC1.COc1ccc(CCl)cc1.COc1ccc(CNN)cc1.COc1ccc(CNN)cc1.COc1ccc(Cn2cc3c(n2)c(=O)[nH]c2ccc(Cl)cc23)cc1.COc1ccc(Cn2cc3c(n2)c(Cl)nc2ccc(Cl)cc23)cc1.COc1ccc(Cn2cc3c(n2)c(N2CCN(C)CC2)nc2ccc(Cl)cc23)cc1.Clc1ccc2[nH]ccc2c1.NN.O=P(Cl)(Cl)Cl
InChIInChI=1S/C23H24ClN5O.C18H13Cl2N3O.C18H14ClN3O2.C12H10ClNO3.C8H6ClN.C8H9ClO.2C8H12N2O.C5H12N2.C4H5ClO3.Cl3OP.H4N2/c1-27-9-11-28(12-10-27)23-22-20(19-13-17(24)5-8-21(19)25-23)15-29(26-22)14-16-3-6-18(30-2)7-4-16;1-24-13-5-2-11(3-6-13)9-23-10-15-14-8-12(19)4-7-16(14)21-18(20)17(15)22-23;1-24-13-5-2-11(3-6-13)9-22-10-15-14-8-12(19)4-7-16(14)20-18(23)17(15)21-22;1-2-17-12(16)11(15)9-6-14-10-4-3-7(13)5-8(9)10;9-7-1-2-8-6(5-7)3-4-10-8;1-10-8-4-2-7(6-9)3-5-8;2*1-11-8-4-2-7(3-5-8)6-10-9;1-7-4-2-6-3-5-7;1-2-8-4(7)3(5)6;1-5(2,3)4;1-2/h3-8,13,15H,9-12,14H2,1-2H3;2-8,10H,9H2,1H3;2-8,10H,9H2,1H3,(H,20,23);3-6,14H,2H2,1H3;1-5,10H;2-5H,6H2,1H3;2*2-5,10H,6,9H2,1H3;6H,2-5H2,1H3;2H2,1H3;;1-2H2
InChIKeyRNLQJLDDAXDYGV-UHFFFAOYSA-N
XLogP23.19
TPSA452.76 Ų
H-Bond Donors10
H-Bond Acceptors32
Rotatable Bonds23
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002406.29
LogP ≤ 523.19
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze 5-chloro-1H-indole;8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[3,4-c]quinolin-4-one;1-(chloromethyl)-4-methoxybenzene;4,8-dichloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;hydrazine;bis((4-methoxyphenyl)methylhydrazine);1-methylpiperazine;phosphoryl trichloride with MolForge

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Related Compounds

4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;ethyl 2-chloro-2-oxoacetate;ethyl 2-oxo-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetate;methane;methylhydrazine;2-methyl-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline;1-methylpiperazine;2-methyl-8-(trifluoromethyl)-5H-pyrazolo[3,4-c]quinolin-4-one;5-(trifluoromethyl)-1H-indole
CID 158916502
4-chloro-2,8-dimethylpyrazolo[3,4-c]quinoline;2,8-dimethyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;2,8-dimethyl-5H-pyrazolo[3,4-c]quinolin-4-one;ethyl 2-chloro-2-oxoacetate;ethyl 2-(5-methyl-1H-indol-3-yl)-2-oxoacetate;methylhydrazine;5-methyl-1H-indole;1-methylpiperazine
CID 158127574
5-chloro-1H-indole;8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;4,8-dichloro-2-methylpyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;methane;methylhydrazine;1-methylpiperazine
CID 158496237
5-chloro-1H-indole;8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;4,8-dichloro-2-methylpyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;methylhydrazine;1-methylpiperazine
CID 160613655
4-chloro-2-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[3,4-c]quinoline;ethanol;2-[(4-methoxyphenyl)methyl]-8-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;2-[(4-methoxyphenyl)methyl]-8-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;8-methyl-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;1-methylpiperazine
CID 161351124
5-chloro-1H-indole;8-chloro-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[3,4-c]quinolin-4-one;1-(chloromethyl)-4-methoxybenzene;4,8-dichloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;hydrazine;bis((4-methoxyphenyl)methylhydrazine);1-methylpiperazine;phosphoryl trichloride
CID 161933255
4-chloro-2-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[3,4-c]quinoline;ethanol;methane;2-[(4-methoxyphenyl)methyl]-8-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;2-[(4-methoxyphenyl)methyl]-8-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;8-methyl-4-(4-methylpiperazin-1-yl)-3H-pyrazolo[5,4-c]quinoline;1-methylpiperazine
CID 162127273

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1H-indole;8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[3,4-c]quinolin-4-one;1-(chloromethyl)-4-methoxybenzene;4,8-dichloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;hydrazine;bis((4-methoxyphenyl)methylhydrazine);1-methylpiperazine;phosphoryl trichloride?
The IUPAC name of 5-chloro-1H-indole;8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[3,4-c]quinolin-4-one;1-(chloromethyl)-4-methoxybenzene;4,8-dichloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;hydrazine;bis((4-methoxyphenyl)methylhydrazine);1-methylpiperazine;phosphoryl trichloride (CID 160675402) is 5-chloro-1H-indole;8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[3,4-c]quinolin-4-one;1-(chloromethyl)-4-methoxybenzene;4,8-dichloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;hydrazine;bis((4-methoxyphenyl)methylhydrazine);1-methylpiperazine;phosphoryl trichloride.
What is the SMILES notation for 5-chloro-1H-indole;8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[3,4-c]quinolin-4-one;1-(chloromethyl)-4-methoxybenzene;4,8-dichloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;hydrazine;bis((4-methoxyphenyl)methylhydrazine);1-methylpiperazine;phosphoryl trichloride?
The canonical SMILES for 5-chloro-1H-indole;8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[3,4-c]quinolin-4-one;1-(chloromethyl)-4-methoxybenzene;4,8-dichloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;hydrazine;bis((4-methoxyphenyl)methylhydrazine);1-methylpiperazine;phosphoryl trichloride is CCOC(=O)C(=O)Cl.CCOC(=O)C(=O)c1c[nH]c2ccc(Cl)cc12.CN1CCNCC1.COc1ccc(CCl)cc1.COc1ccc(CNN)cc1.COc1ccc(CNN)cc1.COc1ccc(Cn2cc3c(n2)c(=O)[nH]c2ccc(Cl)cc23)cc1.COc1ccc(Cn2cc3c(n2)c(Cl)nc2ccc(Cl)cc23)cc1.COc1ccc(Cn2cc3c(n2)c(N2CCN(C)CC2)nc2ccc(Cl)cc23)cc1.Clc1ccc2[nH]ccc2c1.NN.O=P(Cl)(Cl)Cl.
What is the InChIKey of 5-chloro-1H-indole;8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[3,4-c]quinolin-4-one;1-(chloromethyl)-4-methoxybenzene;4,8-dichloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;hydrazine;bis((4-methoxyphenyl)methylhydrazine);1-methylpiperazine;phosphoryl trichloride?
The InChIKey is RNLQJLDDAXDYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O.C18H13Cl2N3O.C18H14ClN3O2.C12H10ClNO3.C8H6ClN.C8H9ClO.2C8H12N2O.C5H12N2.C4H5ClO3.Cl3OP.H4N2/c1-27-9-11-28(12-10-27)23-22-20(19-13-17(24)5-8-21(19)25-23)15-29(26-22)14-16-3-6-18(30-2)7-4-16;1-24-13-5-2-11(3-6-13)9-23-10-15-14-8-12(19)4-7-16(14)21-18(20)17(15)22-23;1-24-13-5-2-11(3-6-13)9-22-10-15-14-8-12(19)4-7-16(14)20-18(23)17(15)21-22;1-2-17-12(16)11(15)9-6-14-10-4-3-7(13)5-8(9)10;9-7-1-2-8-6(5-7)3-4-10-8;1-10-8-4-2-7(6-9)3-5-8;2*1-11-8-4-2-7(3-5-8)6-10-9;1-7-4-2-6-3-5-7;1-2-8-4(7)3(5)6;1-5(2,3)4;1-2/h3-8,13,15H,9-12,14H2,1-2H3;2-8,10H,9H2,1H3;2-8,10H,9H2,1H3,(H,20,23);3-6,14H,2H2,1H3;1-5,10H;2-5H,6H2,1H3;2*2-5,10H,6,9H2,1H3;6H,2-5H2,1H3;2H2,1H3;;1-2H2.
What are the key properties of 5-chloro-1H-indole;8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[3,4-c]quinolin-4-one;1-(chloromethyl)-4-methoxybenzene;4,8-dichloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;hydrazine;bis((4-methoxyphenyl)methylhydrazine);1-methylpiperazine;phosphoryl trichloride?
5-chloro-1H-indole;8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[3,4-c]quinolin-4-one;1-(chloromethyl)-4-methoxybenzene;4,8-dichloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;hydrazine;bis((4-methoxyphenyl)methylhydrazine);1-methylpiperazine;phosphoryl trichloride has a molecular weight of 2406.29 g/mol, XLogP of 23.19, 23 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1H-indole;8-chloro-2-[(4-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[3,4-c]quinolin-4-one;1-(chloromethyl)-4-methoxybenzene;4,8-dichloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;hydrazine;bis((4-methoxyphenyl)methylhydrazine);1-methylpiperazine;phosphoryl trichloride is sourced from PubChem (CID 160675402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).