2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carbohydrazide;2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carbonyl]amino]acetate;ethyl 5-[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxylate;ethyl 2-chloro-2-oxoacetate

C103H94ClF4N23O14 — CID 163839366

IUPAC2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carbohydrazide;2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carbonyl]amino]acetate;ethyl 5-[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxylate;ethyl 2-chloro-2-oxoacetate
SMILESCC(C)(C)OC(=O)NN.CCOC(=O)C(=O)Cl.CCOC(=O)c1nnc(-c2cc(-c3ccc4ncnc(C)c4c3)c(-c3ccc(F)cc3)nc2N)o1.Cc1ncnc2ccc(-c3cc(C(=O)NCC(=O)OC(C)(C)C)c(N)nc3-c3ccc(F)cc3)cc12.Cc1ncnc2ccc(-c3cc(C(=O)NN)c(N)nc3-c3ccc(F)cc3)cc12.Cc1ncnc2ccc(-c3cc(C(=O)O)c(N)nc3-c3ccc(F)cc3)cc12
InChIInChI=1S/C27H26FN5O3.C25H19FN6O3.C21H17FN6O.C21H15FN4O2.C5H12N2O2.C4H5ClO3/c1-15-19-11-17(7-10-22(19)32-14-31-15)20-12-21(26(35)30-13-23(34)36-27(2,3)4)25(29)33-24(20)16-5-8-18(28)9-6-16;1-3-34-25(33)24-32-31-23(35-24)19-11-18(15-6-9-20-17(10-15)13(2)28-12-29-20)21(30-22(19)27)14-4-7-16(26)8-5-14;1-11-15-8-13(4-7-18(15)26-10-25-11)16-9-17(21(29)28-24)20(23)27-19(16)12-2-5-14(22)6-3-12;1-11-15-8-13(4-7-18(15)25-10-24-11)16-9-17(21(27)28)20(23)26-19(16)12-2-5-14(22)6-3-12;1-5(2,3)9-4(8)7-6;1-2-8-4(7)3(5)6/h5-12,14H,13H2,1-4H3,(H2,29,33)(H,30,35);4-12H,3H2,1-2H3,(H2,27,30);2-10H,24H2,1H3,(H2,23,27)(H,28,29);2-10H,1H3,(H2,23,26)(H,27,28);6H2,1-3H3,(H,7,8);2H2,1H3
InChIKeyOKOLCKXEHXZESH-UHFFFAOYSA-N
MW1989.48 g/mol
LogP16.85
Rot. Bonds18

About 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carbohydrazide;2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carbonyl]amino]acetate;ethyl 5-[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxylate;ethyl 2-chloro-2-oxoacetate

2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carbohydrazide;2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carbonyl]amino]acetate;ethyl 5-[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxylate;ethyl 2-chloro-2-oxoacetate (PubChem CID 163839366) has the molecular formula C103H94ClF4N23O14 and a molecular weight of 1989.48 g/mol. Its IUPAC name is 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carbohydrazide;2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carbonyl]amino]acetate;ethyl 5-[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxylate;ethyl 2-chloro-2-oxoacetate.

Molecular Properties

Compound Name2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carbohydrazide;2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carbonyl]amino]acetate;ethyl 5-[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxylate;ethyl 2-chloro-2-oxoacetate
PubChem CID163839366
Molecular FormulaC103H94ClF4N23O14
Molecular Weight1989.48 g/mol
Exact Mass1987.70
IUPAC Name2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carbohydrazide;2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carbonyl]amino]acetate;ethyl 5-[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxylate;ethyl 2-chloro-2-oxoacetate
SMILESCC(C)(C)OC(=O)NN.CCOC(=O)C(=O)Cl.CCOC(=O)c1nnc(-c2cc(-c3ccc4ncnc(C)c4c3)c(-c3ccc(F)cc3)nc2N)o1.Cc1ncnc2ccc(-c3cc(C(=O)NCC(=O)OC(C)(C)C)c(N)nc3-c3ccc(F)cc3)cc12.Cc1ncnc2ccc(-c3cc(C(=O)NN)c(N)nc3-c3ccc(F)cc3)cc12.Cc1ncnc2ccc(-c3cc(C(=O)O)c(N)nc3-c3ccc(F)cc3)cc12
InChIInChI=1S/C27H26FN5O3.C25H19FN6O3.C21H17FN6O.C21H15FN4O2.C5H12N2O2.C4H5ClO3/c1-15-19-11-17(7-10-22(19)32-14-31-15)20-12-21(26(35)30-13-23(34)36-27(2,3)4)25(29)33-24(20)16-5-8-18(28)9-6-16;1-3-34-25(33)24-32-31-23(35-24)19-11-18(15-6-9-20-17(10-15)13(2)28-12-29-20)21(30-22(19)27)14-4-7-16(26)8-5-14;1-11-15-8-13(4-7-18(15)26-10-25-11)16-9-17(21(29)28-24)20(23)27-19(16)12-2-5-14(22)6-3-12;1-11-15-8-13(4-7-18(15)25-10-24-11)16-9-17(21(27)28)20(23)26-19(16)12-2-5-14(22)6-3-12;1-5(2,3)9-4(8)7-6;1-2-8-4(7)3(5)6/h5-12,14H,13H2,1-4H3,(H2,29,33)(H,30,35);4-12H,3H2,1-2H3,(H2,27,30);2-10H,24H2,1H3,(H2,23,27)(H,28,29);2-10H,1H3,(H2,23,26)(H,27,28);6H2,1-3H3,(H,7,8);2H2,1H3
InChIKeyOKOLCKXEHXZESH-UHFFFAOYSA-N
XLogP16.85
TPSA579.52 Ų
H-Bond Donors10
H-Bond Acceptors33
Rotatable Bonds18
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001989.48
LogP ≤ 516.85
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carbohydrazide;2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carbonyl]amino]acetate;ethyl 5-[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxylate;ethyl 2-chloro-2-oxoacetate with MolForge

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Related Compounds

6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylic acid;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one;methyl 5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylate
CID 160923760
2-amino-5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)pyridine-3-carbohydrazide;2-amino-5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)pyridine-3-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[[2-amino-5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)pyridine-3-carbonyl]amino]acetate;ethyl 5-[2-amino-5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxylate;ethyl 2-chloro-2-oxoacetate;indiganuide
CID 164121848
1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[4-(3-chloroanilino)quinolin-6-yl]pyridine-3-carboxylic acid;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-3H-1,3,4-oxadiazol-2-one
CID 165049489

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carbohydrazide;2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carbonyl]amino]acetate;ethyl 5-[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxylate;ethyl 2-chloro-2-oxoacetate?
The IUPAC name of 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carbohydrazide;2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carbonyl]amino]acetate;ethyl 5-[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxylate;ethyl 2-chloro-2-oxoacetate (CID 163839366) is 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carbohydrazide;2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carbonyl]amino]acetate;ethyl 5-[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxylate;ethyl 2-chloro-2-oxoacetate.
What is the SMILES notation for 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carbohydrazide;2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carbonyl]amino]acetate;ethyl 5-[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxylate;ethyl 2-chloro-2-oxoacetate?
The canonical SMILES for 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carbohydrazide;2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carbonyl]amino]acetate;ethyl 5-[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxylate;ethyl 2-chloro-2-oxoacetate is CC(C)(C)OC(=O)NN.CCOC(=O)C(=O)Cl.CCOC(=O)c1nnc(-c2cc(-c3ccc4ncnc(C)c4c3)c(-c3ccc(F)cc3)nc2N)o1.Cc1ncnc2ccc(-c3cc(C(=O)NCC(=O)OC(C)(C)C)c(N)nc3-c3ccc(F)cc3)cc12.Cc1ncnc2ccc(-c3cc(C(=O)NN)c(N)nc3-c3ccc(F)cc3)cc12.Cc1ncnc2ccc(-c3cc(C(=O)O)c(N)nc3-c3ccc(F)cc3)cc12.
What is the InChIKey of 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carbohydrazide;2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carbonyl]amino]acetate;ethyl 5-[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxylate;ethyl 2-chloro-2-oxoacetate?
The InChIKey is OKOLCKXEHXZESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O3.C25H19FN6O3.C21H17FN6O.C21H15FN4O2.C5H12N2O2.C4H5ClO3/c1-15-19-11-17(7-10-22(19)32-14-31-15)20-12-21(26(35)30-13-23(34)36-27(2,3)4)25(29)33-24(20)16-5-8-18(28)9-6-16;1-3-34-25(33)24-32-31-23(35-24)19-11-18(15-6-9-20-17(10-15)13(2)28-12-29-20)21(30-22(19)27)14-4-7-16(26)8-5-14;1-11-15-8-13(4-7-18(15)26-10-25-11)16-9-17(21(29)28-24)20(23)27-19(16)12-2-5-14(22)6-3-12;1-11-15-8-13(4-7-18(15)25-10-24-11)16-9-17(21(27)28)20(23)26-19(16)12-2-5-14(22)6-3-12;1-5(2,3)9-4(8)7-6;1-2-8-4(7)3(5)6/h5-12,14H,13H2,1-4H3,(H2,29,33)(H,30,35);4-12H,3H2,1-2H3,(H2,27,30);2-10H,24H2,1H3,(H2,23,27)(H,28,29);2-10H,1H3,(H2,23,26)(H,27,28);6H2,1-3H3,(H,7,8);2H2,1H3.
What are the key properties of 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carbohydrazide;2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carbonyl]amino]acetate;ethyl 5-[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxylate;ethyl 2-chloro-2-oxoacetate?
2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carbohydrazide;2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carbonyl]amino]acetate;ethyl 5-[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxylate;ethyl 2-chloro-2-oxoacetate has a molecular weight of 1989.48 g/mol, XLogP of 16.85, 18 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carbohydrazide;2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridine-3-carbonyl]amino]acetate;ethyl 5-[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxylate;ethyl 2-chloro-2-oxoacetate is sourced from PubChem (CID 163839366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).