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

C100H120ClN19O14 — CID 167552098

IUPACtert-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
SMILESCC(C)(C)OC(=O)NCc1ccc(C=O)cc1.CCCCNN.CCCCn1cc2c(n1)c(=O)[nH]c1ccccc12.CCCCn1cc2c(n1)c(Cl)nc1ccccc12.CCCCn1cc2c(n1)c(N)nc1ccccc12.CCCCn1nc2c(N)nc3ccccc3c2c1C(O)c1ccc(CNC(=O)OC(C)(C)C)cc1.CCOC(=O)C(=O)c1c[nH]c2ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C27H33N5O3.C14H14ClN3.C14H16N4.C14H15N3O.C13H17NO3.C12H11NO3.C4H12N2.C2H2O4/c1-5-6-15-32-23(21-19-9-7-8-10-20(19)30-25(28)22(21)31-32)24(33)18-13-11-17(12-14-18)16-29-26(34)35-27(2,3)4;2*1-2-3-8-18-9-11-10-6-4-5-7-12(10)16-14(15)13(11)17-18;1-2-3-8-17-9-11-10-6-4-5-7-12(10)15-14(18)13(11)16-17;1-13(2,3)17-12(16)14-8-10-4-6-11(9-15)7-5-10;1-2-16-12(15)11(14)9-7-13-10-6-4-3-5-8(9)10;1-2-3-4-6-5;3-1(4)2(5)6/h7-14,24,33H,5-6,15-16H2,1-4H3,(H2,28,30)(H,29,34);4-7,9H,2-3,8H2,1H3;4-7,9H,2-3,8H2,1H3,(H2,15,16);4-7,9H,2-3,8H2,1H3,(H,15,18);4-7,9H,8H2,1-3H3,(H,14,16);3-7,13H,2H2,1H3;6H,2-5H2,1H3;(H,3,4)(H,5,6)
InChIKeyHZYNEBBXJGCMGO-UHFFFAOYSA-N
MW1847.63 g/mol
LogP18.60
Rot. Bonds25

About 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

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 (PubChem CID 167552098) has the molecular formula C100H120ClN19O14 and a molecular weight of 1847.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID167552098
Molecular FormulaC100H120ClN19O14
Molecular Weight1847.63 g/mol
Exact Mass1845.90
IUPAC Nametert-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
SMILESCC(C)(C)OC(=O)NCc1ccc(C=O)cc1.CCCCNN.CCCCn1cc2c(n1)c(=O)[nH]c1ccccc12.CCCCn1cc2c(n1)c(Cl)nc1ccccc12.CCCCn1cc2c(n1)c(N)nc1ccccc12.CCCCn1nc2c(N)nc3ccccc3c2c1C(O)c1ccc(CNC(=O)OC(C)(C)C)cc1.CCOC(=O)C(=O)c1c[nH]c2ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C27H33N5O3.C14H14ClN3.C14H16N4.C14H15N3O.C13H17NO3.C12H11NO3.C4H12N2.C2H2O4/c1-5-6-15-32-23(21-19-9-7-8-10-20(19)30-25(28)22(21)31-32)24(33)18-13-11-17(12-14-18)16-29-26(34)35-27(2,3)4;2*1-2-3-8-18-9-11-10-6-4-5-7-12(10)16-14(15)13(11)17-18;1-2-3-8-17-9-11-10-6-4-5-7-12(10)15-14(18)13(11)16-17;1-13(2,3)17-12(16)14-8-10-4-6-11(9-15)7-5-10;1-2-16-12(15)11(14)9-7-13-10-6-4-3-5-8(9)10;1-2-3-4-6-5;3-1(4)2(5)6/h7-14,24,33H,5-6,15-16H2,1-4H3,(H2,28,30)(H,29,34);4-7,9H,2-3,8H2,1H3;4-7,9H,2-3,8H2,1H3,(H2,15,16);4-7,9H,2-3,8H2,1H3,(H,15,18);4-7,9H,8H2,1-3H3,(H,14,16);3-7,13H,2H2,1H3;6H,2-5H2,1H3;(H,3,4)(H,5,6)
InChIKeyHZYNEBBXJGCMGO-UHFFFAOYSA-N
XLogP18.60
TPSA480.62 Ų
H-Bond Donors11
H-Bond Acceptors27
Rotatable Bonds25
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001847.63
LogP ≤ 518.60
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 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 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
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
(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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)OC(=O)NCc1ccc(C=O)cc1.CCCCNN.CCCCn1cc2c(n1)c(=O)[nH]c1ccccc12.CCCCn1cc2c(n1)c(Cl)nc1ccccc12.CCCCn1cc2c(n1)c(N)nc1ccccc12.CCCCn1nc2c(N)nc3ccccc3c2c1C(O)c1ccc(CNC(=O)OC(C)(C)C)cc1.CCOC(=O)C(=O)c1c[nH]c2ccccc12.O=C(O)C(=O)O.
What is the InChIKey of 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?
The InChIKey is HZYNEBBXJGCMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3.C14H14ClN3.C14H16N4.C14H15N3O.C13H17NO3.C12H11NO3.C4H12N2.C2H2O4/c1-5-6-15-32-23(21-19-9-7-8-10-20(19)30-25(28)22(21)31-32)24(33)18-13-11-17(12-14-18)16-29-26(34)35-27(2,3)4;2*1-2-3-8-18-9-11-10-6-4-5-7-12(10)16-14(15)13(11)17-18;1-2-3-8-17-9-11-10-6-4-5-7-12(10)15-14(18)13(11)16-17;1-13(2,3)17-12(16)14-8-10-4-6-11(9-15)7-5-10;1-2-16-12(15)11(14)9-7-13-10-6-4-3-5-8(9)10;1-2-3-4-6-5;3-1(4)2(5)6/h7-14,24,33H,5-6,15-16H2,1-4H3,(H2,28,30)(H,29,34);4-7,9H,2-3,8H2,1H3;4-7,9H,2-3,8H2,1H3,(H2,15,16);4-7,9H,2-3,8H2,1H3,(H,15,18);4-7,9H,8H2,1-3H3,(H,14,16);3-7,13H,2H2,1H3;6H,2-5H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 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?
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 has a molecular weight of 1847.63 g/mol, XLogP of 18.60, 25 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167552098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).