bis(N-amino-N'-(2-anilinoquinazolin-4-yl)ethanimidamide);tetrakis(N-amino-N'-quinazolin-4-ylethanimidamide);4-N-(1H-indazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;4-N-(1H-indazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine

C115H107F3N44 — CID 159649391

IUPACbis(N-amino-N'-(2-anilinoquinazolin-4-yl)ethanimidamide);tetrakis(N-amino-N'-quinazolin-4-ylethanimidamide);4-N-(1H-indazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;4-N-(1H-indazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine
SMILESC/C(=N\c1nc(Nc2ccccc2)nc2ccccc12)NN.C/C(=N\c1nc(Nc2ccccc2)nc2ccccc12)NN.C/C(=N\c1ncnc2ccccc12)NN.C/C(=N\c1ncnc2ccccc12)NN.C/C(=N\c1ncnc2ccccc12)NN.C/C(=N\c1ncnc2ccccc12)NN.FC(F)(F)c1cccc(Nc2nc(Nc3n[nH]c4ccccc34)c3ccccc3n2)c1.c1ccc(Nc2nc(Nc3n[nH]c4ccccc34)c3ccccc3n2)cc1
InChIInChI=1S/C22H15F3N6.C21H16N6.2C16H16N6.4C10H11N5/c23-22(24,25)13-6-5-7-14(12-13)26-21-27-17-10-3-1-8-15(17)19(29-21)28-20-16-9-2-4-11-18(16)30-31-20;1-2-8-14(9-3-1)22-21-23-17-12-6-4-10-15(17)19(25-21)24-20-16-11-5-7-13-18(16)26-27-20;2*1-11(22-17)18-15-13-9-5-6-10-14(13)20-16(21-15)19-12-7-3-2-4-8-12;4*1-7(15-11)14-10-8-4-2-3-5-9(8)12-6-13-10/h1-12H,(H3,26,27,28,29,30,31);1-13H,(H3,22,23,24,25,26,27);2*2-10H,17H2,1H3,(H2,18,19,20,21,22);4*2-6H,11H2,1H3,(H,12,13,14,15)
InChIKeyMRJIJKHDLMJIRE-UHFFFAOYSA-N
MW2162.42 g/mol
LogP21.35
Rot. Bonds18

About bis(N-amino-N'-(2-anilinoquinazolin-4-yl)ethanimidamide);tetrakis(N-amino-N'-quinazolin-4-ylethanimidamide);4-N-(1H-indazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;4-N-(1H-indazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine

bis(N-amino-N'-(2-anilinoquinazolin-4-yl)ethanimidamide);tetrakis(N-amino-N'-quinazolin-4-ylethanimidamide);4-N-(1H-indazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;4-N-(1H-indazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine (PubChem CID 159649391) has the molecular formula C115H107F3N44 and a molecular weight of 2162.42 g/mol. Its IUPAC name is bis(N-amino-N'-(2-anilinoquinazolin-4-yl)ethanimidamide);tetrakis(N-amino-N'-quinazolin-4-ylethanimidamide);4-N-(1H-indazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;4-N-(1H-indazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Namebis(N-amino-N'-(2-anilinoquinazolin-4-yl)ethanimidamide);tetrakis(N-amino-N'-quinazolin-4-ylethanimidamide);4-N-(1H-indazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;4-N-(1H-indazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine
PubChem CID159649391
Molecular FormulaC115H107F3N44
Molecular Weight2162.42 g/mol
Exact Mass2160.97
IUPAC Namebis(N-amino-N'-(2-anilinoquinazolin-4-yl)ethanimidamide);tetrakis(N-amino-N'-quinazolin-4-ylethanimidamide);4-N-(1H-indazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;4-N-(1H-indazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine
SMILESC/C(=N\c1nc(Nc2ccccc2)nc2ccccc12)NN.C/C(=N\c1nc(Nc2ccccc2)nc2ccccc12)NN.C/C(=N\c1ncnc2ccccc12)NN.C/C(=N\c1ncnc2ccccc12)NN.C/C(=N\c1ncnc2ccccc12)NN.C/C(=N\c1ncnc2ccccc12)NN.FC(F)(F)c1cccc(Nc2nc(Nc3n[nH]c4ccccc34)c3ccccc3n2)c1.c1ccc(Nc2nc(Nc3n[nH]c4ccccc34)c3ccccc3n2)cc1
InChIInChI=1S/C22H15F3N6.C21H16N6.2C16H16N6.4C10H11N5/c23-22(24,25)13-6-5-7-14(12-13)26-21-27-17-10-3-1-8-15(17)19(29-21)28-20-16-9-2-4-11-18(16)30-31-20;1-2-8-14(9-3-1)22-21-23-17-12-6-4-10-15(17)19(25-21)24-20-16-11-5-7-13-18(16)26-27-20;2*1-11(22-17)18-15-13-9-5-6-10-14(13)20-16(21-15)19-12-7-3-2-4-8-12;4*1-7(15-11)14-10-8-4-2-3-5-9(8)12-6-13-10/h1-12H,(H3,26,27,28,29,30,31);1-13H,(H3,22,23,24,25,26,27);2*2-10H,17H2,1H3,(H2,18,19,20,21,22);4*2-6H,11H2,1H3,(H,12,13,14,15)
InChIKeyMRJIJKHDLMJIRE-UHFFFAOYSA-N
XLogP21.35
TPSA638.24 Ų
H-Bond Donors20
H-Bond Acceptors36
Rotatable Bonds18
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002162.42
LogP ≤ 521.35
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze bis(N-amino-N'-(2-anilinoquinazolin-4-yl)ethanimidamide);tetrakis(N-amino-N'-quinazolin-4-ylethanimidamide);4-N-(1H-indazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;4-N-(1H-indazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine with MolForge

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Related Compounds

(1S,4S)-2-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-3-fluorophenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane
CID 49837087
Trk-IN-28
CID 171034102
N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]quinazolin-4-amine
CID 177383211
N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-7-piperidin-1-ylquinazolin-4-amine
CID 177383213
N-(4-pyrrol-1-yl-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 10162277
4-N-(1H-indazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine
CID 10180419
4-N-(1H-indazol-3-yl)-2-N-[2-(trifluoromethyl)phenyl]quinazoline-2,4-diamine
CID 10273626
5-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidine-2,5-diamine
CID 20626376
N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-amine
CID 20626377
N-(1H-indazol-3-yl)-7-methyl-2-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-4-amine
CID 20626378
6-benzyl-N-(5-fluoro-1H-indazol-3-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 21939164
N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
CID 21939238

Frequently Asked Questions

What is the IUPAC name of bis(N-amino-N'-(2-anilinoquinazolin-4-yl)ethanimidamide);tetrakis(N-amino-N'-quinazolin-4-ylethanimidamide);4-N-(1H-indazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;4-N-(1H-indazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine?
The IUPAC name of bis(N-amino-N'-(2-anilinoquinazolin-4-yl)ethanimidamide);tetrakis(N-amino-N'-quinazolin-4-ylethanimidamide);4-N-(1H-indazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;4-N-(1H-indazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine (CID 159649391) is bis(N-amino-N'-(2-anilinoquinazolin-4-yl)ethanimidamide);tetrakis(N-amino-N'-quinazolin-4-ylethanimidamide);4-N-(1H-indazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;4-N-(1H-indazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine.
What is the SMILES notation for bis(N-amino-N'-(2-anilinoquinazolin-4-yl)ethanimidamide);tetrakis(N-amino-N'-quinazolin-4-ylethanimidamide);4-N-(1H-indazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;4-N-(1H-indazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine?
The canonical SMILES for bis(N-amino-N'-(2-anilinoquinazolin-4-yl)ethanimidamide);tetrakis(N-amino-N'-quinazolin-4-ylethanimidamide);4-N-(1H-indazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;4-N-(1H-indazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine is C/C(=N\c1nc(Nc2ccccc2)nc2ccccc12)NN.C/C(=N\c1nc(Nc2ccccc2)nc2ccccc12)NN.C/C(=N\c1ncnc2ccccc12)NN.C/C(=N\c1ncnc2ccccc12)NN.C/C(=N\c1ncnc2ccccc12)NN.C/C(=N\c1ncnc2ccccc12)NN.FC(F)(F)c1cccc(Nc2nc(Nc3n[nH]c4ccccc34)c3ccccc3n2)c1.c1ccc(Nc2nc(Nc3n[nH]c4ccccc34)c3ccccc3n2)cc1.
What is the InChIKey of bis(N-amino-N'-(2-anilinoquinazolin-4-yl)ethanimidamide);tetrakis(N-amino-N'-quinazolin-4-ylethanimidamide);4-N-(1H-indazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;4-N-(1H-indazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine?
The InChIKey is MRJIJKHDLMJIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N6.C21H16N6.2C16H16N6.4C10H11N5/c23-22(24,25)13-6-5-7-14(12-13)26-21-27-17-10-3-1-8-15(17)19(29-21)28-20-16-9-2-4-11-18(16)30-31-20;1-2-8-14(9-3-1)22-21-23-17-12-6-4-10-15(17)19(25-21)24-20-16-11-5-7-13-18(16)26-27-20;2*1-11(22-17)18-15-13-9-5-6-10-14(13)20-16(21-15)19-12-7-3-2-4-8-12;4*1-7(15-11)14-10-8-4-2-3-5-9(8)12-6-13-10/h1-12H,(H3,26,27,28,29,30,31);1-13H,(H3,22,23,24,25,26,27);2*2-10H,17H2,1H3,(H2,18,19,20,21,22);4*2-6H,11H2,1H3,(H,12,13,14,15).
What are the key properties of bis(N-amino-N'-(2-anilinoquinazolin-4-yl)ethanimidamide);tetrakis(N-amino-N'-quinazolin-4-ylethanimidamide);4-N-(1H-indazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;4-N-(1H-indazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine?
bis(N-amino-N'-(2-anilinoquinazolin-4-yl)ethanimidamide);tetrakis(N-amino-N'-quinazolin-4-ylethanimidamide);4-N-(1H-indazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;4-N-(1H-indazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine has a molecular weight of 2162.42 g/mol, XLogP of 21.35, 18 rotatable bonds, 20 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-amino-N'-(2-anilinoquinazolin-4-yl)ethanimidamide);tetrakis(N-amino-N'-quinazolin-4-ylethanimidamide);4-N-(1H-indazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;4-N-(1H-indazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine is sourced from PubChem (CID 159649391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).