N-aminohydroxylamine;2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;2,4-dichloro-6,7-difluoroquinazoline;6,7-difluoro-N-(3-fluorophenyl)-2-hydrazinyl-N-methylquinazolin-4-amine;7,8-difluoro-N-(3-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethyl-3-fluorobenzene

C62H46Cl3F12N17O — CID 167676238

IUPACN-aminohydroxylamine;2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;2,4-dichloro-6,7-difluoroquinazoline;6,7-difluoro-N-(3-fluorophenyl)-2-hydrazinyl-N-methylquinazolin-4-amine;7,8-difluoro-N-(3-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethyl-3-fluorobenzene
SMILESCCc1cccc(F)c1.CN(c1cccc(F)c1)c1nc(Cl)nc2cc(F)c(F)cc12.CN(c1cccc(F)c1)c1nc(NN)nc2cc(F)c(F)cc12.CN(c1cccc(F)c1)c1nc2nncn2c2cc(F)c(F)cc12.Fc1cc2nc(Cl)nc(Cl)c2cc1F.NNO
InChIInChI=1S/C16H10F3N5.C15H9ClF3N3.C15H12F3N5.C8H2Cl2F2N2.C8H9F.H4N2O/c1-23(10-4-2-3-9(17)5-10)15-11-6-12(18)13(19)7-14(11)24-8-20-22-16(24)21-15;1-22(9-4-2-3-8(17)5-9)14-10-6-11(18)12(19)7-13(10)20-15(16)21-14;1-23(9-4-2-3-8(16)5-9)14-10-6-11(17)12(18)7-13(10)20-15(21-14)22-19;9-7-3-1-4(11)5(12)2-6(3)13-8(10)14-7;1-2-7-4-3-5-8(9)6-7;1-2-3/h2-8H,1H3;2-7H,1H3;2-7H,19H2,1H3,(H,20,21,22);1-2H;3-6H,2H2,1H3;2-3H,1H2
InChIKeyUVWHFBRCZDUMPJ-UHFFFAOYSA-N
MW1379.50 g/mol
LogP15.47
Rot. Bonds8

About N-aminohydroxylamine;2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;2,4-dichloro-6,7-difluoroquinazoline;6,7-difluoro-N-(3-fluorophenyl)-2-hydrazinyl-N-methylquinazolin-4-amine;7,8-difluoro-N-(3-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethyl-3-fluorobenzene

N-aminohydroxylamine;2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;2,4-dichloro-6,7-difluoroquinazoline;6,7-difluoro-N-(3-fluorophenyl)-2-hydrazinyl-N-methylquinazolin-4-amine;7,8-difluoro-N-(3-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethyl-3-fluorobenzene (PubChem CID 167676238) has the molecular formula C62H46Cl3F12N17O and a molecular weight of 1379.50 g/mol. Its IUPAC name is N-aminohydroxylamine;2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;2,4-dichloro-6,7-difluoroquinazoline;6,7-difluoro-N-(3-fluorophenyl)-2-hydrazinyl-N-methylquinazolin-4-amine;7,8-difluoro-N-(3-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethyl-3-fluorobenzene.

Molecular Properties

Compound NameN-aminohydroxylamine;2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;2,4-dichloro-6,7-difluoroquinazoline;6,7-difluoro-N-(3-fluorophenyl)-2-hydrazinyl-N-methylquinazolin-4-amine;7,8-difluoro-N-(3-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethyl-3-fluorobenzene
PubChem CID167676238
Molecular FormulaC62H46Cl3F12N17O
Molecular Weight1379.50 g/mol
Exact Mass1377.29
IUPAC NameN-aminohydroxylamine;2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;2,4-dichloro-6,7-difluoroquinazoline;6,7-difluoro-N-(3-fluorophenyl)-2-hydrazinyl-N-methylquinazolin-4-amine;7,8-difluoro-N-(3-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethyl-3-fluorobenzene
SMILESCCc1cccc(F)c1.CN(c1cccc(F)c1)c1nc(Cl)nc2cc(F)c(F)cc12.CN(c1cccc(F)c1)c1nc(NN)nc2cc(F)c(F)cc12.CN(c1cccc(F)c1)c1nc2nncn2c2cc(F)c(F)cc12.Fc1cc2nc(Cl)nc(Cl)c2cc1F.NNO
InChIInChI=1S/C16H10F3N5.C15H9ClF3N3.C15H12F3N5.C8H2Cl2F2N2.C8H9F.H4N2O/c1-23(10-4-2-3-9(17)5-10)15-11-6-12(18)13(19)7-14(11)24-8-20-22-16(24)21-15;1-22(9-4-2-3-8(17)5-9)14-10-6-11(18)12(19)7-13(10)20-15(16)21-14;1-23(9-4-2-3-8(16)5-9)14-10-6-11(17)12(18)7-13(10)20-15(21-14)22-19;9-7-3-1-4(11)5(12)2-6(3)13-8(10)14-7;1-2-7-4-3-5-8(9)6-7;1-2-3/h2-8H,1H3;2-7H,1H3;2-7H,19H2,1H3,(H,20,21,22);1-2H;3-6H,2H2,1H3;2-3H,1H2
InChIKeyUVWHFBRCZDUMPJ-UHFFFAOYSA-N
XLogP15.47
TPSA226.47 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001379.50
LogP ≤ 515.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze N-aminohydroxylamine;2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;2,4-dichloro-6,7-difluoroquinazoline;6,7-difluoro-N-(3-fluorophenyl)-2-hydrazinyl-N-methylquinazolin-4-amine;7,8-difluoro-N-(3-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethyl-3-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-[8-chloro-7-fluoro-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-8-amine
CID 156557102
N-aminohydroxylamine;8-chloro-N-[3-(5-cyclopropylpyrazin-2-yl)phenyl]-7-fluoro-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;7-chloro-6-fluoro-2-hydrazinyl-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;8-chloro-7-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,7-dichloro-6-fluoro-N-(3-iodophenyl)-N-(trifluoromethyl)quinazolin-4-amine;1-iodo-3-isothiocyanatobenzene;methane;2,4,7-trichloro-6-fluoroquinazoline
CID 167612740
tris(N-amino-N'-quinazolin-4-ylethanimidamide);benzene;4-N-(1H-indazol-3-yl)-2-N-methyl-2-N-phenylquinazoline-2,4-diamine
CID 91349801
2-chloro-N-ethyl-6,7-difluoro-N-phenylquinazolin-4-amine;5-N-ethyl-7-fluoro-5-N-phenyl-[1,2,4]triazolo[4,3-a]quinazoline-5,8-diamine
CID 156536443
2-chloro-4-(3,4-dihydro-2H-quinolin-1-yl)-6,7-difluoroquinazoline;5-(3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-8-amine
CID 156536749
N-amino-N'-(2-anilinoquinazolin-4-yl)ethanimidamide;bis(N-amino-N'-quinazolin-4-ylethanimidamide);2-N-(2-chlorophenyl)-4-N-(1H-indazol-3-yl)quinazoline-2,4-diamine
CID 158966958
N-amino-N'-(2-anilinoquinazolin-4-yl)ethanimidamide;bis(N-amino-N'-quinazolin-4-ylethanimidamide);4-N-(1H-indazol-3-yl)-2-N-phenylquinazoline-2,4-diamine
CID 161246523
N-(3-bromo-5-fluorophenyl)-8-chloro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(3-bromo-5-fluorophenyl)-2,7-dichloro-N-methylquinazolin-4-amine;2,4,7-trichloroquinazoline
CID 167535973

Frequently Asked Questions

What is the IUPAC name of N-aminohydroxylamine;2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;2,4-dichloro-6,7-difluoroquinazoline;6,7-difluoro-N-(3-fluorophenyl)-2-hydrazinyl-N-methylquinazolin-4-amine;7,8-difluoro-N-(3-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethyl-3-fluorobenzene?
The IUPAC name of N-aminohydroxylamine;2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;2,4-dichloro-6,7-difluoroquinazoline;6,7-difluoro-N-(3-fluorophenyl)-2-hydrazinyl-N-methylquinazolin-4-amine;7,8-difluoro-N-(3-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethyl-3-fluorobenzene (CID 167676238) is N-aminohydroxylamine;2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;2,4-dichloro-6,7-difluoroquinazoline;6,7-difluoro-N-(3-fluorophenyl)-2-hydrazinyl-N-methylquinazolin-4-amine;7,8-difluoro-N-(3-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethyl-3-fluorobenzene.
What is the SMILES notation for N-aminohydroxylamine;2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;2,4-dichloro-6,7-difluoroquinazoline;6,7-difluoro-N-(3-fluorophenyl)-2-hydrazinyl-N-methylquinazolin-4-amine;7,8-difluoro-N-(3-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethyl-3-fluorobenzene?
The canonical SMILES for N-aminohydroxylamine;2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;2,4-dichloro-6,7-difluoroquinazoline;6,7-difluoro-N-(3-fluorophenyl)-2-hydrazinyl-N-methylquinazolin-4-amine;7,8-difluoro-N-(3-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethyl-3-fluorobenzene is CCc1cccc(F)c1.CN(c1cccc(F)c1)c1nc(Cl)nc2cc(F)c(F)cc12.CN(c1cccc(F)c1)c1nc(NN)nc2cc(F)c(F)cc12.CN(c1cccc(F)c1)c1nc2nncn2c2cc(F)c(F)cc12.Fc1cc2nc(Cl)nc(Cl)c2cc1F.NNO.
What is the InChIKey of N-aminohydroxylamine;2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;2,4-dichloro-6,7-difluoroquinazoline;6,7-difluoro-N-(3-fluorophenyl)-2-hydrazinyl-N-methylquinazolin-4-amine;7,8-difluoro-N-(3-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethyl-3-fluorobenzene?
The InChIKey is UVWHFBRCZDUMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5.C15H9ClF3N3.C15H12F3N5.C8H2Cl2F2N2.C8H9F.H4N2O/c1-23(10-4-2-3-9(17)5-10)15-11-6-12(18)13(19)7-14(11)24-8-20-22-16(24)21-15;1-22(9-4-2-3-8(17)5-9)14-10-6-11(18)12(19)7-13(10)20-15(16)21-14;1-23(9-4-2-3-8(16)5-9)14-10-6-11(17)12(18)7-13(10)20-15(21-14)22-19;9-7-3-1-4(11)5(12)2-6(3)13-8(10)14-7;1-2-7-4-3-5-8(9)6-7;1-2-3/h2-8H,1H3;2-7H,1H3;2-7H,19H2,1H3,(H,20,21,22);1-2H;3-6H,2H2,1H3;2-3H,1H2.
What are the key properties of N-aminohydroxylamine;2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;2,4-dichloro-6,7-difluoroquinazoline;6,7-difluoro-N-(3-fluorophenyl)-2-hydrazinyl-N-methylquinazolin-4-amine;7,8-difluoro-N-(3-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethyl-3-fluorobenzene?
N-aminohydroxylamine;2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;2,4-dichloro-6,7-difluoroquinazoline;6,7-difluoro-N-(3-fluorophenyl)-2-hydrazinyl-N-methylquinazolin-4-amine;7,8-difluoro-N-(3-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethyl-3-fluorobenzene has a molecular weight of 1379.50 g/mol, XLogP of 15.47, 8 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-aminohydroxylamine;2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;2,4-dichloro-6,7-difluoroquinazoline;6,7-difluoro-N-(3-fluorophenyl)-2-hydrazinyl-N-methylquinazolin-4-amine;7,8-difluoro-N-(3-fluorophenyl)-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethyl-3-fluorobenzene is sourced from PubChem (CID 167676238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).