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

C69H76Cl7N17O7 — CID 158496237

IUPAC5-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
SMILESC.CCOC(=O)C(=O)Cl.CCOC(=O)C(=O)c1c[nH]c2ccc(Cl)cc12.CN1CCN(c2nc3ccc(Cl)cc3c3cn(C)nc23)CC1.CN1CCNCC1.CNN.Clc1ccc2[nH]ccc2c1.Cn1cc2c(n1)c(=O)[nH]c1ccc(Cl)cc12.Cn1cc2c(n1)c(Cl)nc1ccc(Cl)cc12
InChIInChI=1S/C16H18ClN5.C12H10ClNO3.C11H7Cl2N3.C11H8ClN3O.C8H6ClN.C5H12N2.C4H5ClO3.CH6N2.CH4/c1-20-5-7-22(8-6-20)16-15-13(10-21(2)19-15)12-9-11(17)3-4-14(12)18-16;1-2-17-12(16)11(15)9-6-14-10-4-3-7(13)5-8(9)10;1-16-5-8-7-4-6(12)2-3-9(7)14-11(13)10(8)15-16;1-15-5-8-7-4-6(12)2-3-9(7)13-11(16)10(8)14-15;9-7-1-2-8-6(5-7)3-4-10-8;1-7-4-2-6-3-5-7;1-2-8-4(7)3(5)6;1-3-2;/h3-4,9-10H,5-8H2,1-2H3;3-6,14H,2H2,1H3;2-5H,1H3;2-5H,1H3,(H,13,16);1-5,10H;6H,2-5H2,1H3;2H2,1H3;3H,2H2,1H3;1H4
InChIKeyHJIDOBJRUICGQD-UHFFFAOYSA-N
MW1503.65 g/mol
LogP12.96
Rot. Bonds6

About 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

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 (PubChem CID 158496237) has the molecular formula C69H76Cl7N17O7 and a molecular weight of 1503.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID158496237
Molecular FormulaC69H76Cl7N17O7
Molecular Weight1503.65 g/mol
Exact Mass1499.39
IUPAC Name5-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
SMILESC.CCOC(=O)C(=O)Cl.CCOC(=O)C(=O)c1c[nH]c2ccc(Cl)cc12.CN1CCN(c2nc3ccc(Cl)cc3c3cn(C)nc23)CC1.CN1CCNCC1.CNN.Clc1ccc2[nH]ccc2c1.Cn1cc2c(n1)c(=O)[nH]c1ccc(Cl)cc12.Cn1cc2c(n1)c(Cl)nc1ccc(Cl)cc12
InChIInChI=1S/C16H18ClN5.C12H10ClNO3.C11H7Cl2N3.C11H8ClN3O.C8H6ClN.C5H12N2.C4H5ClO3.CH6N2.CH4/c1-20-5-7-22(8-6-20)16-15-13(10-21(2)19-15)12-9-11(17)3-4-14(12)18-16;1-2-17-12(16)11(15)9-6-14-10-4-3-7(13)5-8(9)10;1-16-5-8-7-4-6(12)2-3-9(7)14-11(13)10(8)15-16;1-15-5-8-7-4-6(12)2-3-9(7)13-11(16)10(8)14-15;9-7-1-2-8-6(5-7)3-4-10-8;1-7-4-2-6-3-5-7;1-2-8-4(7)3(5)6;1-3-2;/h3-4,9-10H,5-8H2,1-2H3;3-6,14H,2H2,1H3;2-5H,1H3;2-5H,1H3,(H,13,16);1-5,10H;6H,2-5H2,1H3;2H2,1H3;3H,2H2,1H3;1H4
InChIKeyHJIDOBJRUICGQD-UHFFFAOYSA-N
XLogP12.96
TPSA290.22 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds6
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001503.65
LogP ≤ 512.96
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

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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
N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-imidazol-1-ylacetamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-(4-methylpiperazin-1-yl)acetamide;ethyl 6-[2-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]amino]-2-oxoethyl]pyridine-3-carboxylate;methyl 4-[2-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]amino]-2-oxoethyl]benzoate
CID 157637104
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
CID 160269007
CID 160269007
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
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
N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]acetamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-N-methylpropanamide;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-(3-methylpyrrol-1-yl)ethanone;1-[2-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-oxoethyl]pyridin-2-one;ethyl 4-[2-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-oxoethyl]benzoate
CID 161623138
tert-butyl N-[[4-[(4-amino-2-butylpyrazolo[3,4-c]quinolin-1-yl)-hydroxymethyl]phenyl]methyl]carbamate;2-butyl-4-chloropyrazolo[3,4-c]quinoline;tert-butyl N-[(4-formylphenyl)methyl]carbamate;butylhydrazine;2-butylpyrazolo[3,4-c]quinolin-4-amine;2-butyl-5H-pyrazolo[3,4-c]quinolin-4-one;ethyl 2-(1H-indol-3-yl)-2-oxoacetate;oxalic acid
CID 167552098
(4-amino-2-methylpyrazolo[3,4-c]quinolin-1-yl)-(4-ethylphenyl)methanol;4-chloro-2-methylpyrazolo[3,4-c]quinoline;ethane;4-ethylbenzaldehyde;ethyl 2-(1H-indol-3-yl)-2-oxoacetate;methylhydrazine;2-methylpyrazolo[3,4-c]quinolin-4-amine;2-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;oxalic acid
CID 167665180

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.CCOC(=O)C(=O)Cl.CCOC(=O)C(=O)c1c[nH]c2ccc(Cl)cc12.CN1CCN(c2nc3ccc(Cl)cc3c3cn(C)nc23)CC1.CN1CCNCC1.CNN.Clc1ccc2[nH]ccc2c1.Cn1cc2c(n1)c(=O)[nH]c1ccc(Cl)cc12.Cn1cc2c(n1)c(Cl)nc1ccc(Cl)cc12.
What is the InChIKey of 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?
The InChIKey is HJIDOBJRUICGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5.C12H10ClNO3.C11H7Cl2N3.C11H8ClN3O.C8H6ClN.C5H12N2.C4H5ClO3.CH6N2.CH4/c1-20-5-7-22(8-6-20)16-15-13(10-21(2)19-15)12-9-11(17)3-4-14(12)18-16;1-2-17-12(16)11(15)9-6-14-10-4-3-7(13)5-8(9)10;1-16-5-8-7-4-6(12)2-3-9(7)14-11(13)10(8)15-16;1-15-5-8-7-4-6(12)2-3-9(7)13-11(16)10(8)14-15;9-7-1-2-8-6(5-7)3-4-10-8;1-7-4-2-6-3-5-7;1-2-8-4(7)3(5)6;1-3-2;/h3-4,9-10H,5-8H2,1-2H3;3-6,14H,2H2,1H3;2-5H,1H3;2-5H,1H3,(H,13,16);1-5,10H;6H,2-5H2,1H3;2H2,1H3;3H,2H2,1H3;1H4.
What are the key properties of 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?
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 has a molecular weight of 1503.65 g/mol, XLogP of 12.96, 6 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158496237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).