N-aminohydroxylamine;3-bromo-5-fluoro-N-methylaniline;N-(3-bromo-5-fluorophenyl)-2-chloro-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-2-hydrazinyl-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[3-(5-cyclopropylpyrazin-2-yl)-5-fluorophenyl]-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;methane

C90H66Br4Cl3F20N25O — CID 167690407

IUPACN-aminohydroxylamine;3-bromo-5-fluoro-N-methylaniline;N-(3-bromo-5-fluorophenyl)-2-chloro-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-2-hydrazinyl-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[3-(5-cyclopropylpyrazin-2-yl)-5-fluorophenyl]-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;methane
SMILESC.CN(c1cc(F)cc(-c2cnc(C3CC3)cn2)c1)c1nc2nncn2c2cc(C(F)(F)F)ccc12.CN(c1cc(F)cc(Br)c1)c1nc(Cl)nc2cc(C(F)(F)F)ccc12.CN(c1cc(F)cc(Br)c1)c1nc(NN)nc2cc(C(F)(F)F)ccc12.CN(c1cc(F)cc(Br)c1)c1nc2nncn2c2cc(C(F)(F)F)ccc12.CNc1cc(F)cc(Br)c1.FC(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1.NNO
InChIInChI=1S/C24H17F4N7.C17H10BrF4N5.C16H9BrClF4N3.C16H12BrF4N5.C9H3Cl2F3N2.C7H7BrFN.CH4.H4N2O/c1-34(17-7-14(6-16(25)9-17)20-11-29-19(10-30-20)13-2-3-13)22-18-5-4-15(24(26,27)28)8-21(18)35-12-31-33-23(35)32-22;1-26(12-6-10(18)5-11(19)7-12)15-13-3-2-9(17(20,21)22)4-14(13)27-8-23-25-16(27)24-15;1-25(11-6-9(17)5-10(19)7-11)14-12-3-2-8(16(20,21)22)4-13(12)23-15(18)24-14;1-26(11-6-9(17)5-10(18)7-11)14-12-3-2-8(16(19,20)21)4-13(12)23-15(24-14)25-22;10-7-5-2-1-4(9(12,13)14)3-6(5)15-8(11)16-7;1-10-7-3-5(8)2-6(9)4-7;;1-2-3/h4-13H,2-3H2,1H3;2-8H,1H3;2-7H,1H3;2-7H,22H2,1H3,(H,23,24,25);1-3H;2-4,10H,1H3;1H4;2-3H,1H2
InChIKeyWVSDNOTXCHDYGM-UHFFFAOYSA-N
MW2319.63 g/mol
LogP27.14
Rot. Bonds12

About N-aminohydroxylamine;3-bromo-5-fluoro-N-methylaniline;N-(3-bromo-5-fluorophenyl)-2-chloro-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-2-hydrazinyl-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[3-(5-cyclopropylpyrazin-2-yl)-5-fluorophenyl]-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;methane

N-aminohydroxylamine;3-bromo-5-fluoro-N-methylaniline;N-(3-bromo-5-fluorophenyl)-2-chloro-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-2-hydrazinyl-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[3-(5-cyclopropylpyrazin-2-yl)-5-fluorophenyl]-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;methane (PubChem CID 167690407) has the molecular formula C90H66Br4Cl3F20N25O and a molecular weight of 2319.63 g/mol. Its IUPAC name is N-aminohydroxylamine;3-bromo-5-fluoro-N-methylaniline;N-(3-bromo-5-fluorophenyl)-2-chloro-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-2-hydrazinyl-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[3-(5-cyclopropylpyrazin-2-yl)-5-fluorophenyl]-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;methane.

Molecular Properties

Compound NameN-aminohydroxylamine;3-bromo-5-fluoro-N-methylaniline;N-(3-bromo-5-fluorophenyl)-2-chloro-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-2-hydrazinyl-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[3-(5-cyclopropylpyrazin-2-yl)-5-fluorophenyl]-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;methane
PubChem CID167690407
Molecular FormulaC90H66Br4Cl3F20N25O
Molecular Weight2319.63 g/mol
Exact Mass2313.14
IUPAC NameN-aminohydroxylamine;3-bromo-5-fluoro-N-methylaniline;N-(3-bromo-5-fluorophenyl)-2-chloro-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-2-hydrazinyl-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[3-(5-cyclopropylpyrazin-2-yl)-5-fluorophenyl]-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;methane
SMILESC.CN(c1cc(F)cc(-c2cnc(C3CC3)cn2)c1)c1nc2nncn2c2cc(C(F)(F)F)ccc12.CN(c1cc(F)cc(Br)c1)c1nc(Cl)nc2cc(C(F)(F)F)ccc12.CN(c1cc(F)cc(Br)c1)c1nc(NN)nc2cc(C(F)(F)F)ccc12.CN(c1cc(F)cc(Br)c1)c1nc2nncn2c2cc(C(F)(F)F)ccc12.CNc1cc(F)cc(Br)c1.FC(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1.NNO
InChIInChI=1S/C24H17F4N7.C17H10BrF4N5.C16H9BrClF4N3.C16H12BrF4N5.C9H3Cl2F3N2.C7H7BrFN.CH4.H4N2O/c1-34(17-7-14(6-16(25)9-17)20-11-29-19(10-30-20)13-2-3-13)22-18-5-4-15(24(26,27)28)8-21(18)35-12-31-33-23(35)32-22;1-26(12-6-10(18)5-11(19)7-12)15-13-3-2-9(17(20,21)22)4-14(13)27-8-23-25-16(27)24-15;1-25(11-6-9(17)5-10(19)7-11)14-12-3-2-8(16(20,21)22)4-13(12)23-15(18)24-14;1-26(11-6-9(17)5-10(18)7-11)14-12-3-2-8(16(19,20)21)4-13(12)23-15(24-14)25-22;10-7-5-2-1-4(9(12,13)14)3-6(5)15-8(11)16-7;1-10-7-3-5(8)2-6(9)4-7;;1-2-3/h4-13H,2-3H2,1H3;2-8H,1H3;2-7H,1H3;2-7H,22H2,1H3,(H,23,24,25);1-3H;2-4,10H,1H3;1H4;2-3H,1H2
InChIKeyWVSDNOTXCHDYGM-UHFFFAOYSA-N
XLogP27.14
TPSA310.60 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds12
Heavy Atoms143
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002319.63
LogP ≤ 527.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-aminohydroxylamine;3-bromo-5-fluoro-N-methylaniline;N-(3-bromo-5-fluorophenyl)-2-chloro-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-2-hydrazinyl-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[3-(5-cyclopropylpyrazin-2-yl)-5-fluorophenyl]-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-aminohydroxylamine;3-bromo-5-fluoro-N-methylaniline;N-(3-bromo-5-fluorophenyl)-2-chloro-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-2-hydrazinyl-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[3-(5-cyclopropylpyrazin-2-yl)-5-fluorophenyl]-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;methane?
The IUPAC name of N-aminohydroxylamine;3-bromo-5-fluoro-N-methylaniline;N-(3-bromo-5-fluorophenyl)-2-chloro-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-2-hydrazinyl-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[3-(5-cyclopropylpyrazin-2-yl)-5-fluorophenyl]-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;methane (CID 167690407) is N-aminohydroxylamine;3-bromo-5-fluoro-N-methylaniline;N-(3-bromo-5-fluorophenyl)-2-chloro-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-2-hydrazinyl-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[3-(5-cyclopropylpyrazin-2-yl)-5-fluorophenyl]-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;methane.
What is the SMILES notation for N-aminohydroxylamine;3-bromo-5-fluoro-N-methylaniline;N-(3-bromo-5-fluorophenyl)-2-chloro-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-2-hydrazinyl-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[3-(5-cyclopropylpyrazin-2-yl)-5-fluorophenyl]-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;methane?
The canonical SMILES for N-aminohydroxylamine;3-bromo-5-fluoro-N-methylaniline;N-(3-bromo-5-fluorophenyl)-2-chloro-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-2-hydrazinyl-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[3-(5-cyclopropylpyrazin-2-yl)-5-fluorophenyl]-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;methane is C.CN(c1cc(F)cc(-c2cnc(C3CC3)cn2)c1)c1nc2nncn2c2cc(C(F)(F)F)ccc12.CN(c1cc(F)cc(Br)c1)c1nc(Cl)nc2cc(C(F)(F)F)ccc12.CN(c1cc(F)cc(Br)c1)c1nc(NN)nc2cc(C(F)(F)F)ccc12.CN(c1cc(F)cc(Br)c1)c1nc2nncn2c2cc(C(F)(F)F)ccc12.CNc1cc(F)cc(Br)c1.FC(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1.NNO.
What is the InChIKey of N-aminohydroxylamine;3-bromo-5-fluoro-N-methylaniline;N-(3-bromo-5-fluorophenyl)-2-chloro-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-2-hydrazinyl-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[3-(5-cyclopropylpyrazin-2-yl)-5-fluorophenyl]-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;methane?
The InChIKey is WVSDNOTXCHDYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F4N7.C17H10BrF4N5.C16H9BrClF4N3.C16H12BrF4N5.C9H3Cl2F3N2.C7H7BrFN.CH4.H4N2O/c1-34(17-7-14(6-16(25)9-17)20-11-29-19(10-30-20)13-2-3-13)22-18-5-4-15(24(26,27)28)8-21(18)35-12-31-33-23(35)32-22;1-26(12-6-10(18)5-11(19)7-12)15-13-3-2-9(17(20,21)22)4-14(13)27-8-23-25-16(27)24-15;1-25(11-6-9(17)5-10(19)7-11)14-12-3-2-8(16(20,21)22)4-13(12)23-15(18)24-14;1-26(11-6-9(17)5-10(18)7-11)14-12-3-2-8(16(19,20)21)4-13(12)23-15(24-14)25-22;10-7-5-2-1-4(9(12,13)14)3-6(5)15-8(11)16-7;1-10-7-3-5(8)2-6(9)4-7;;1-2-3/h4-13H,2-3H2,1H3;2-8H,1H3;2-7H,1H3;2-7H,22H2,1H3,(H,23,24,25);1-3H;2-4,10H,1H3;1H4;2-3H,1H2.
What are the key properties of N-aminohydroxylamine;3-bromo-5-fluoro-N-methylaniline;N-(3-bromo-5-fluorophenyl)-2-chloro-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-2-hydrazinyl-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[3-(5-cyclopropylpyrazin-2-yl)-5-fluorophenyl]-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;methane?
N-aminohydroxylamine;3-bromo-5-fluoro-N-methylaniline;N-(3-bromo-5-fluorophenyl)-2-chloro-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-2-hydrazinyl-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[3-(5-cyclopropylpyrazin-2-yl)-5-fluorophenyl]-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;methane has a molecular weight of 2319.63 g/mol, XLogP of 27.14, 12 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-aminohydroxylamine;3-bromo-5-fluoro-N-methylaniline;N-(3-bromo-5-fluorophenyl)-2-chloro-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-2-hydrazinyl-N-methyl-7-(trifluoromethyl)quinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[3-(5-cyclopropylpyrazin-2-yl)-5-fluorophenyl]-N-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-7-(trifluoromethyl)quinazoline;methane is sourced from PubChem (CID 167690407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).