(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

C87H106ClN17O10 — CID 167665180

IUPAC(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
SMILESCC.CC.CC.CC.CC.CCOC(=O)C(=O)c1c[nH]c2ccccc12.CCc1ccc(C(O)c2c3c(nn2C)c(N)nc2ccccc23)cc1.CCc1ccc(C=O)cc1.CNN.Cn1cc2c(n1)c(=O)[nH]c1ccccc12.Cn1cc2c(n1)c(Cl)nc1ccccc12.Cn1cc2c(n1)c(N)nc1ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C20H20N4O.C12H11NO3.C11H8ClN3.C11H10N4.C11H9N3O.C9H10O.C2H2O4.5C2H6.CH6N2/c1-3-12-8-10-13(11-9-12)19(25)18-16-14-6-4-5-7-15(14)22-20(21)17(16)23-24(18)2;1-2-16-12(15)11(14)9-7-13-10-6-4-3-5-8(9)10;2*1-15-6-8-7-4-2-3-5-9(7)13-11(12)10(8)14-15;1-14-6-8-7-4-2-3-5-9(7)12-11(15)10(8)13-14;1-2-8-3-5-9(7-10)6-4-8;3-1(4)2(5)6;5*1-2;1-3-2/h4-11,19,25H,3H2,1-2H3,(H2,21,22);3-7,13H,2H2,1H3;2-6H,1H3;2-6H,1H3,(H2,12,13);2-6H,1H3,(H,12,15);3-7H,2H2,1H3;(H,3,4)(H,5,6);5*1-2H3;3H,2H2,1H3
InChIKeyGFRKUKZDFZYLLR-UHFFFAOYSA-N
MW1585.37 g/mol
LogP16.58
Rot. Bonds8

About (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

(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 (PubChem CID 167665180) has the molecular formula C87H106ClN17O10 and a molecular weight of 1585.37 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID167665180
Molecular FormulaC87H106ClN17O10
Molecular Weight1585.37 g/mol
Exact Mass1583.80
IUPAC Name(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
SMILESCC.CC.CC.CC.CC.CCOC(=O)C(=O)c1c[nH]c2ccccc12.CCc1ccc(C(O)c2c3c(nn2C)c(N)nc2ccccc23)cc1.CCc1ccc(C=O)cc1.CNN.Cn1cc2c(n1)c(=O)[nH]c1ccccc12.Cn1cc2c(n1)c(Cl)nc1ccccc12.Cn1cc2c(n1)c(N)nc1ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C20H20N4O.C12H11NO3.C11H8ClN3.C11H10N4.C11H9N3O.C9H10O.C2H2O4.5C2H6.CH6N2/c1-3-12-8-10-13(11-9-12)19(25)18-16-14-6-4-5-7-15(14)22-20(21)17(16)23-24(18)2;1-2-16-12(15)11(14)9-7-13-10-6-4-3-5-8(9)10;2*1-15-6-8-7-4-2-3-5-9(7)13-11(12)10(8)14-15;1-14-6-8-7-4-2-3-5-9(7)12-11(15)10(8)13-14;1-2-8-3-5-9(7-10)6-4-8;3-1(4)2(5)6;5*1-2;1-3-2/h4-11,19,25H,3H2,1-2H3,(H2,21,22);3-7,13H,2H2,1H3;2-6H,1H3;2-6H,1H3,(H2,12,13);2-6H,1H3,(H,12,15);3-7H,2H2,1H3;(H,3,4)(H,5,6);5*1-2H3;3H,2H2,1H3
InChIKeyGFRKUKZDFZYLLR-UHFFFAOYSA-N
XLogP16.58
TPSA403.96 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds8
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001585.37
LogP ≤ 516.58
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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
3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylic acid;ethyl 6-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate;methyl 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonyl]amino]methyl]benzoate
CID 158090226
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
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC.CC.CC.CC.CC.CCOC(=O)C(=O)c1c[nH]c2ccccc12.CCc1ccc(C(O)c2c3c(nn2C)c(N)nc2ccccc23)cc1.CCc1ccc(C=O)cc1.CNN.Cn1cc2c(n1)c(=O)[nH]c1ccccc12.Cn1cc2c(n1)c(Cl)nc1ccccc12.Cn1cc2c(n1)c(N)nc1ccccc12.O=C(O)C(=O)O.
What is the InChIKey of (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?
The InChIKey is GFRKUKZDFZYLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O.C12H11NO3.C11H8ClN3.C11H10N4.C11H9N3O.C9H10O.C2H2O4.5C2H6.CH6N2/c1-3-12-8-10-13(11-9-12)19(25)18-16-14-6-4-5-7-15(14)22-20(21)17(16)23-24(18)2;1-2-16-12(15)11(14)9-7-13-10-6-4-3-5-8(9)10;2*1-15-6-8-7-4-2-3-5-9(7)13-11(12)10(8)14-15;1-14-6-8-7-4-2-3-5-9(7)12-11(15)10(8)13-14;1-2-8-3-5-9(7-10)6-4-8;3-1(4)2(5)6;5*1-2;1-3-2/h4-11,19,25H,3H2,1-2H3,(H2,21,22);3-7,13H,2H2,1H3;2-6H,1H3;2-6H,1H3,(H2,12,13);2-6H,1H3,(H,12,15);3-7H,2H2,1H3;(H,3,4)(H,5,6);5*1-2H3;3H,2H2,1H3.
What are the key properties of (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?
(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 has a molecular weight of 1585.37 g/mol, XLogP of 16.58, 8 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 167665180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).