N-aminohydroxylamine;2-bromo-6-ethylpyridine;(4-tert-butylphenyl)boronic acid;2-(4-tert-butylphenyl)-6-ethylpyridine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-2,7-dichloro-N-methylquinazolin-4-amine;diethoxymethoxyethane;methane;oxolane;2,4,7-trichloroquinazoline

C127H149BBrCl7N22O7 — CID 167617572

IUPACN-aminohydroxylamine;2-bromo-6-ethylpyridine;(4-tert-butylphenyl)boronic acid;2-(4-tert-butylphenyl)-6-ethylpyridine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-2,7-dichloro-N-methylquinazolin-4-amine;diethoxymethoxyethane;methane;oxolane;2,4,7-trichloroquinazoline
SMILESC.C1CCOC1.CC(C)(C)c1ccc(B(O)O)cc1.CCOC(OCC)OCC.CCc1cccc(-c2ccc(C(C)(C)C)cc2)n1.CCc1cccc(Br)n1.CN(c1cccc(-c2ccc(C(C)(C)C)cc2)n1)c1nc(Cl)nc2cc(Cl)ccc12.CN(c1cccc(-c2ccc(C(C)(C)C)cc2)n1)c1nc(NN)nc2cc(Cl)ccc12.CN(c1cccc(-c2ccc(C(C)(C)C)cc2)n1)c1nc2nncn2c2cc(Cl)ccc12.Clc1ccc2c(Cl)nc(Cl)nc2c1.NNO
InChIInChI=1S/C25H23ClN6.C24H22Cl2N4.C24H25ClN6.C17H21N.C10H15BO2.C8H3Cl3N2.C7H8BrN.C7H16O3.C4H8O.CH4.H4N2O/c1-25(2,3)17-10-8-16(9-11-17)20-6-5-7-22(28-20)31(4)23-19-13-12-18(26)14-21(19)32-15-27-30-24(32)29-23;1-24(2,3)16-10-8-15(9-11-16)19-6-5-7-21(27-19)30(4)22-18-13-12-17(25)14-20(18)28-23(26)29-22;1-24(2,3)16-10-8-15(9-11-16)19-6-5-7-21(27-19)31(4)22-18-13-12-17(25)14-20(18)28-23(29-22)30-26;1-5-15-7-6-8-16(18-15)13-9-11-14(12-10-13)17(2,3)4;1-10(2,3)8-4-6-9(7-5-8)11(12)13;9-4-1-2-5-6(3-4)12-8(11)13-7(5)10;1-2-6-4-3-5-7(8)9-6;1-4-8-7(9-5-2)10-6-3;1-2-4-5-3-1;;1-2-3/h5-15H,1-4H3;5-14H,1-4H3;5-14H,26H2,1-4H3,(H,28,29,30);6-12H,5H2,1-4H3;4-7,12-13H,1-3H3;1-3H;3-5H,2H2,1H3;7H,4-6H2,1-3H3;1-4H2;1H4;2-3H,1H2
InChIKeyLYUGSRMKRUMHQY-UHFFFAOYSA-N
MW2434.62 g/mol
LogP31.74
Rot. Bonds20

About N-aminohydroxylamine;2-bromo-6-ethylpyridine;(4-tert-butylphenyl)boronic acid;2-(4-tert-butylphenyl)-6-ethylpyridine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-2,7-dichloro-N-methylquinazolin-4-amine;diethoxymethoxyethane;methane;oxolane;2,4,7-trichloroquinazoline

N-aminohydroxylamine;2-bromo-6-ethylpyridine;(4-tert-butylphenyl)boronic acid;2-(4-tert-butylphenyl)-6-ethylpyridine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-2,7-dichloro-N-methylquinazolin-4-amine;diethoxymethoxyethane;methane;oxolane;2,4,7-trichloroquinazoline (PubChem CID 167617572) has the molecular formula C127H149BBrCl7N22O7 and a molecular weight of 2434.62 g/mol. Its IUPAC name is N-aminohydroxylamine;2-bromo-6-ethylpyridine;(4-tert-butylphenyl)boronic acid;2-(4-tert-butylphenyl)-6-ethylpyridine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-2,7-dichloro-N-methylquinazolin-4-amine;diethoxymethoxyethane;methane;oxolane;2,4,7-trichloroquinazoline.

Molecular Properties

Compound NameN-aminohydroxylamine;2-bromo-6-ethylpyridine;(4-tert-butylphenyl)boronic acid;2-(4-tert-butylphenyl)-6-ethylpyridine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-2,7-dichloro-N-methylquinazolin-4-amine;diethoxymethoxyethane;methane;oxolane;2,4,7-trichloroquinazoline
PubChem CID167617572
Molecular FormulaC127H149BBrCl7N22O7
Molecular Weight2434.62 g/mol
Exact Mass2428.91
IUPAC NameN-aminohydroxylamine;2-bromo-6-ethylpyridine;(4-tert-butylphenyl)boronic acid;2-(4-tert-butylphenyl)-6-ethylpyridine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-2,7-dichloro-N-methylquinazolin-4-amine;diethoxymethoxyethane;methane;oxolane;2,4,7-trichloroquinazoline
SMILESC.C1CCOC1.CC(C)(C)c1ccc(B(O)O)cc1.CCOC(OCC)OCC.CCc1cccc(-c2ccc(C(C)(C)C)cc2)n1.CCc1cccc(Br)n1.CN(c1cccc(-c2ccc(C(C)(C)C)cc2)n1)c1nc(Cl)nc2cc(Cl)ccc12.CN(c1cccc(-c2ccc(C(C)(C)C)cc2)n1)c1nc(NN)nc2cc(Cl)ccc12.CN(c1cccc(-c2ccc(C(C)(C)C)cc2)n1)c1nc2nncn2c2cc(Cl)ccc12.Clc1ccc2c(Cl)nc(Cl)nc2c1.NNO
InChIInChI=1S/C25H23ClN6.C24H22Cl2N4.C24H25ClN6.C17H21N.C10H15BO2.C8H3Cl3N2.C7H8BrN.C7H16O3.C4H8O.CH4.H4N2O/c1-25(2,3)17-10-8-16(9-11-17)20-6-5-7-22(28-20)31(4)23-19-13-12-18(26)14-21(19)32-15-27-30-24(32)29-23;1-24(2,3)16-10-8-15(9-11-16)19-6-5-7-21(27-19)30(4)22-18-13-12-17(25)14-20(18)28-23(26)29-22;1-24(2,3)16-10-8-15(9-11-16)19-6-5-7-21(27-19)31(4)22-18-13-12-17(25)14-20(18)28-23(29-22)30-26;1-5-15-7-6-8-16(18-15)13-9-11-14(12-10-13)17(2,3)4;1-10(2,3)8-4-6-9(7-5-8)11(12)13;9-4-1-2-5-6(3-4)12-8(11)13-7(5)10;1-2-6-4-3-5-7(8)9-6;1-4-8-7(9-5-2)10-6-3;1-2-4-5-3-1;;1-2-3/h5-15H,1-4H3;5-14H,1-4H3;5-14H,26H2,1-4H3,(H,28,29,30);6-12H,5H2,1-4H3;4-7,12-13H,1-3H3;1-3H;3-5H,2H2,1H3;7H,4-6H2,1-3H3;1-4H2;1H4;2-3H,1H2
InChIKeyLYUGSRMKRUMHQY-UHFFFAOYSA-N
XLogP31.74
TPSA368.30 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds20
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002434.62
LogP ≤ 531.74
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-aminohydroxylamine;2-bromo-6-ethylpyridine;(4-tert-butylphenyl)boronic acid;2-(4-tert-butylphenyl)-6-ethylpyridine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-2,7-dichloro-N-methylquinazolin-4-amine;diethoxymethoxyethane;methane;oxolane;2,4,7-trichloroquinazoline with MolForge

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Related Compounds

N-aminohydroxylamine;1-bromo-3-ethylbenzene;N-(3-bromophenyl)-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-(3-bromophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;8-chloro-N-[3-[6-(1,1-difluoroethyl)-3-pyridinyl]phenyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;diethoxymethoxyethane;2-(1,1-difluoroethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;2,4,7-trichloroquinazoline
CID 167651130
N-aminohydroxylamine;2-bromo-4-ethylpyridine;N-(2-bromo-4-pyridinyl)-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(2-bromo-4-pyridinyl)-2,7-dichloro-N-methylquinazolin-4-amine;8-chloro-N-methyl-N-[2-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-4-pyridinyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;diethoxymethoxyethane;1-ethynyl-1-(trifluoromethyl)cyclopropane;2,4,7-trichloroquinazoline
CID 167663557
N-aminohydroxylamine;2-bromo-6-ethylpyridine;N-(6-bromo-2-pyridinyl)-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-(6-bromo-2-pyridinyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(6-bromo-2-pyridinyl)-2,7-dichloro-N-methylquinazolin-4-amine;8-chloro-N-[6-[4-(1,1-difluoroethyl)phenyl]-2-pyridinyl]-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;diethoxymethoxyethane;2-[4-(1,1-difluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;2,4,7-trichloroquinazoline
CID 167708965
N-aminohydroxylamine;1-bromo-3-(3,3-difluoropropyl)-5-fluorobenzene;N-(3-bromo-5-fluorophenyl)-7-chloro-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(3-bromo-5-fluorophenyl)-8-chloro-N-(2,2-difluoroethyl)-6-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromo-5-fluorophenyl)-2,7-dichloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;8-chloro-N-(2,2-difluoroethyl)-6-fluoro-N-[3-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-(trifluoromethyl)cyclopropane;2,4,7-trichloro-5-fluoroquinazoline;1,1,1-triethoxyethane
CID 167710443
N-aminohydroxylamine;2-bromo-4-(3,3-difluoropropyl)pyridine;N-(2-bromo-4-pyridinyl)-2-chloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-5-fluoroquinazoline;1,1,1-triethoxyethane
CID 167681248

Frequently Asked Questions

What is the IUPAC name of N-aminohydroxylamine;2-bromo-6-ethylpyridine;(4-tert-butylphenyl)boronic acid;2-(4-tert-butylphenyl)-6-ethylpyridine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-2,7-dichloro-N-methylquinazolin-4-amine;diethoxymethoxyethane;methane;oxolane;2,4,7-trichloroquinazoline?
The IUPAC name of N-aminohydroxylamine;2-bromo-6-ethylpyridine;(4-tert-butylphenyl)boronic acid;2-(4-tert-butylphenyl)-6-ethylpyridine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-2,7-dichloro-N-methylquinazolin-4-amine;diethoxymethoxyethane;methane;oxolane;2,4,7-trichloroquinazoline (CID 167617572) is N-aminohydroxylamine;2-bromo-6-ethylpyridine;(4-tert-butylphenyl)boronic acid;2-(4-tert-butylphenyl)-6-ethylpyridine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-2,7-dichloro-N-methylquinazolin-4-amine;diethoxymethoxyethane;methane;oxolane;2,4,7-trichloroquinazoline.
What is the SMILES notation for N-aminohydroxylamine;2-bromo-6-ethylpyridine;(4-tert-butylphenyl)boronic acid;2-(4-tert-butylphenyl)-6-ethylpyridine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-2,7-dichloro-N-methylquinazolin-4-amine;diethoxymethoxyethane;methane;oxolane;2,4,7-trichloroquinazoline?
The canonical SMILES for N-aminohydroxylamine;2-bromo-6-ethylpyridine;(4-tert-butylphenyl)boronic acid;2-(4-tert-butylphenyl)-6-ethylpyridine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-2,7-dichloro-N-methylquinazolin-4-amine;diethoxymethoxyethane;methane;oxolane;2,4,7-trichloroquinazoline is C.C1CCOC1.CC(C)(C)c1ccc(B(O)O)cc1.CCOC(OCC)OCC.CCc1cccc(-c2ccc(C(C)(C)C)cc2)n1.CCc1cccc(Br)n1.CN(c1cccc(-c2ccc(C(C)(C)C)cc2)n1)c1nc(Cl)nc2cc(Cl)ccc12.CN(c1cccc(-c2ccc(C(C)(C)C)cc2)n1)c1nc(NN)nc2cc(Cl)ccc12.CN(c1cccc(-c2ccc(C(C)(C)C)cc2)n1)c1nc2nncn2c2cc(Cl)ccc12.Clc1ccc2c(Cl)nc(Cl)nc2c1.NNO.
What is the InChIKey of N-aminohydroxylamine;2-bromo-6-ethylpyridine;(4-tert-butylphenyl)boronic acid;2-(4-tert-butylphenyl)-6-ethylpyridine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-2,7-dichloro-N-methylquinazolin-4-amine;diethoxymethoxyethane;methane;oxolane;2,4,7-trichloroquinazoline?
The InChIKey is LYUGSRMKRUMHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN6.C24H22Cl2N4.C24H25ClN6.C17H21N.C10H15BO2.C8H3Cl3N2.C7H8BrN.C7H16O3.C4H8O.CH4.H4N2O/c1-25(2,3)17-10-8-16(9-11-17)20-6-5-7-22(28-20)31(4)23-19-13-12-18(26)14-21(19)32-15-27-30-24(32)29-23;1-24(2,3)16-10-8-15(9-11-16)19-6-5-7-21(27-19)30(4)22-18-13-12-17(25)14-20(18)28-23(26)29-22;1-24(2,3)16-10-8-15(9-11-16)19-6-5-7-21(27-19)31(4)22-18-13-12-17(25)14-20(18)28-23(29-22)30-26;1-5-15-7-6-8-16(18-15)13-9-11-14(12-10-13)17(2,3)4;1-10(2,3)8-4-6-9(7-5-8)11(12)13;9-4-1-2-5-6(3-4)12-8(11)13-7(5)10;1-2-6-4-3-5-7(8)9-6;1-4-8-7(9-5-2)10-6-3;1-2-4-5-3-1;;1-2-3/h5-15H,1-4H3;5-14H,1-4H3;5-14H,26H2,1-4H3,(H,28,29,30);6-12H,5H2,1-4H3;4-7,12-13H,1-3H3;1-3H;3-5H,2H2,1H3;7H,4-6H2,1-3H3;1-4H2;1H4;2-3H,1H2.
What are the key properties of N-aminohydroxylamine;2-bromo-6-ethylpyridine;(4-tert-butylphenyl)boronic acid;2-(4-tert-butylphenyl)-6-ethylpyridine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-2,7-dichloro-N-methylquinazolin-4-amine;diethoxymethoxyethane;methane;oxolane;2,4,7-trichloroquinazoline?
N-aminohydroxylamine;2-bromo-6-ethylpyridine;(4-tert-butylphenyl)boronic acid;2-(4-tert-butylphenyl)-6-ethylpyridine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-2,7-dichloro-N-methylquinazolin-4-amine;diethoxymethoxyethane;methane;oxolane;2,4,7-trichloroquinazoline has a molecular weight of 2434.62 g/mol, XLogP of 31.74, 20 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-aminohydroxylamine;2-bromo-6-ethylpyridine;(4-tert-butylphenyl)boronic acid;2-(4-tert-butylphenyl)-6-ethylpyridine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-7-chloro-2-hydrazinyl-N-methylquinazolin-4-amine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-[6-(4-tert-butylphenyl)-2-pyridinyl]-2,7-dichloro-N-methylquinazolin-4-amine;diethoxymethoxyethane;methane;oxolane;2,4,7-trichloroquinazoline is sourced from PubChem (CID 167617572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).