bis(8-chloro-N-[3-chloro-4-(trifluoromethoxy)phenyl]quinolin-2-amine);8-chloro-N-(3-fluorophenyl)quinolin-2-amine;8-chloro-N-(4-methoxyphenyl)quinolin-2-amine;1-N-(8-chloroquinolin-2-yl)-4-(trifluoromethoxy)benzene-1,2-diamine;8-chloro-N-[3-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine

C126H81Cl10F19N18O6 — CID 161209621

IUPACbis(8-chloro-N-[3-chloro-4-(trifluoromethoxy)phenyl]quinolin-2-amine);8-chloro-N-(3-fluorophenyl)quinolin-2-amine;8-chloro-N-(4-methoxyphenyl)quinolin-2-amine;1-N-(8-chloroquinolin-2-yl)-4-(trifluoromethoxy)benzene-1,2-diamine;8-chloro-N-[3-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine
SMILESCOc1ccc(Nc2ccc3cccc(Cl)c3n2)cc1.FC(F)(F)Oc1ccc(Nc2ccc3cccc(Cl)c3n2)cc1.FC(F)(F)Oc1ccc(Nc2ccc3cccc(Cl)c3n2)cc1Cl.FC(F)(F)Oc1ccc(Nc2ccc3cccc(Cl)c3n2)cc1Cl.FC(F)(F)Oc1cccc(Nc2ccc3cccc(Cl)c3n2)c1.FC(F)(F)c1ccnc(Nc2ccc3cccc(Cl)c3n2)c1.Fc1cccc(Nc2ccc3cccc(Cl)c3n2)c1.Nc1cc(OC(F)(F)F)ccc1Nc1ccc2cccc(Cl)c2n1
InChIInChI=1S/2C16H9Cl2F3N2O.C16H11ClF3N3O.2C16H10ClF3N2O.C16H13ClN2O.C15H9ClF3N3.C15H10ClFN2/c2*17-11-3-1-2-9-4-7-14(23-15(9)11)22-10-5-6-13(12(18)8-10)24-16(19,20)21;17-11-3-1-2-9-4-7-14(23-15(9)11)22-13-6-5-10(8-12(13)21)24-16(18,19)20;17-13-6-1-3-10-7-8-14(22-15(10)13)21-11-4-2-5-12(9-11)23-16(18,19)20;17-13-3-1-2-10-4-9-14(22-15(10)13)21-11-5-7-12(8-6-11)23-16(18,19)20;1-20-13-8-6-12(7-9-13)18-15-10-5-11-3-2-4-14(17)16(11)19-15;16-11-3-1-2-9-4-5-12(22-14(9)11)21-13-8-10(6-7-20-13)15(17,18)19;16-13-6-1-3-10-7-8-14(19-15(10)13)18-12-5-2-4-11(17)9-12/h2*1-8H,(H,22,23);1-8H,21H2,(H,22,23);2*1-9H,(H,21,22);2-10H,1H3,(H,18,19);1-8H,(H,20,21,22);1-9H,(H,18,19)
InChIKeyUWBHCWHHNBUKSM-UHFFFAOYSA-N
MW2658.65 g/mol
LogP43.00
Rot. Bonds22

About bis(8-chloro-N-[3-chloro-4-(trifluoromethoxy)phenyl]quinolin-2-amine);8-chloro-N-(3-fluorophenyl)quinolin-2-amine;8-chloro-N-(4-methoxyphenyl)quinolin-2-amine;1-N-(8-chloroquinolin-2-yl)-4-(trifluoromethoxy)benzene-1,2-diamine;8-chloro-N-[3-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine

bis(8-chloro-N-[3-chloro-4-(trifluoromethoxy)phenyl]quinolin-2-amine);8-chloro-N-(3-fluorophenyl)quinolin-2-amine;8-chloro-N-(4-methoxyphenyl)quinolin-2-amine;1-N-(8-chloroquinolin-2-yl)-4-(trifluoromethoxy)benzene-1,2-diamine;8-chloro-N-[3-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine (PubChem CID 161209621) has the molecular formula C126H81Cl10F19N18O6 and a molecular weight of 2658.65 g/mol. Its IUPAC name is bis(8-chloro-N-[3-chloro-4-(trifluoromethoxy)phenyl]quinolin-2-amine);8-chloro-N-(3-fluorophenyl)quinolin-2-amine;8-chloro-N-(4-methoxyphenyl)quinolin-2-amine;1-N-(8-chloroquinolin-2-yl)-4-(trifluoromethoxy)benzene-1,2-diamine;8-chloro-N-[3-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine.

Molecular Properties

Compound Namebis(8-chloro-N-[3-chloro-4-(trifluoromethoxy)phenyl]quinolin-2-amine);8-chloro-N-(3-fluorophenyl)quinolin-2-amine;8-chloro-N-(4-methoxyphenyl)quinolin-2-amine;1-N-(8-chloroquinolin-2-yl)-4-(trifluoromethoxy)benzene-1,2-diamine;8-chloro-N-[3-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine
PubChem CID161209621
Molecular FormulaC126H81Cl10F19N18O6
Molecular Weight2658.65 g/mol
Exact Mass2652.32
IUPAC Namebis(8-chloro-N-[3-chloro-4-(trifluoromethoxy)phenyl]quinolin-2-amine);8-chloro-N-(3-fluorophenyl)quinolin-2-amine;8-chloro-N-(4-methoxyphenyl)quinolin-2-amine;1-N-(8-chloroquinolin-2-yl)-4-(trifluoromethoxy)benzene-1,2-diamine;8-chloro-N-[3-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine
SMILESCOc1ccc(Nc2ccc3cccc(Cl)c3n2)cc1.FC(F)(F)Oc1ccc(Nc2ccc3cccc(Cl)c3n2)cc1.FC(F)(F)Oc1ccc(Nc2ccc3cccc(Cl)c3n2)cc1Cl.FC(F)(F)Oc1ccc(Nc2ccc3cccc(Cl)c3n2)cc1Cl.FC(F)(F)Oc1cccc(Nc2ccc3cccc(Cl)c3n2)c1.FC(F)(F)c1ccnc(Nc2ccc3cccc(Cl)c3n2)c1.Fc1cccc(Nc2ccc3cccc(Cl)c3n2)c1.Nc1cc(OC(F)(F)F)ccc1Nc1ccc2cccc(Cl)c2n1
InChIInChI=1S/2C16H9Cl2F3N2O.C16H11ClF3N3O.2C16H10ClF3N2O.C16H13ClN2O.C15H9ClF3N3.C15H10ClFN2/c2*17-11-3-1-2-9-4-7-14(23-15(9)11)22-10-5-6-13(12(18)8-10)24-16(19,20)21;17-11-3-1-2-9-4-7-14(23-15(9)11)22-13-6-5-10(8-12(13)21)24-16(18,19)20;17-13-6-1-3-10-7-8-14(22-15(10)13)21-11-4-2-5-12(9-11)23-16(18,19)20;17-13-3-1-2-10-4-9-14(22-15(10)13)21-11-5-7-12(8-6-11)23-16(18,19)20;1-20-13-8-6-12(7-9-13)18-15-10-5-11-3-2-4-14(17)16(11)19-15;16-11-3-1-2-9-4-5-12(22-14(9)11)21-13-8-10(6-7-20-13)15(17,18)19;16-13-6-1-3-10-7-8-14(19-15(10)13)18-12-5-2-4-11(17)9-12/h2*1-8H,(H,22,23);1-8H,21H2,(H,22,23);2*1-9H,(H,21,22);2-10H,1H3,(H,18,19);1-8H,(H,20,21,22);1-9H,(H,18,19)
InChIKeyUWBHCWHHNBUKSM-UHFFFAOYSA-N
XLogP43.00
TPSA293.65 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002658.65
LogP ≤ 543.00
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze bis(8-chloro-N-[3-chloro-4-(trifluoromethoxy)phenyl]quinolin-2-amine);8-chloro-N-(3-fluorophenyl)quinolin-2-amine;8-chloro-N-(4-methoxyphenyl)quinolin-2-amine;1-N-(8-chloroquinolin-2-yl)-4-(trifluoromethoxy)benzene-1,2-diamine;8-chloro-N-[3-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(8-chloro-N-[3-chloro-4-(trifluoromethoxy)phenyl]quinolin-2-amine);8-chloro-N-(3-fluorophenyl)quinolin-2-amine;8-chloro-N-(4-methoxyphenyl)quinolin-2-amine;1-N-(8-chloroquinolin-2-yl)-4-(trifluoromethoxy)benzene-1,2-diamine;8-chloro-N-[3-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine?
The IUPAC name of bis(8-chloro-N-[3-chloro-4-(trifluoromethoxy)phenyl]quinolin-2-amine);8-chloro-N-(3-fluorophenyl)quinolin-2-amine;8-chloro-N-(4-methoxyphenyl)quinolin-2-amine;1-N-(8-chloroquinolin-2-yl)-4-(trifluoromethoxy)benzene-1,2-diamine;8-chloro-N-[3-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine (CID 161209621) is bis(8-chloro-N-[3-chloro-4-(trifluoromethoxy)phenyl]quinolin-2-amine);8-chloro-N-(3-fluorophenyl)quinolin-2-amine;8-chloro-N-(4-methoxyphenyl)quinolin-2-amine;1-N-(8-chloroquinolin-2-yl)-4-(trifluoromethoxy)benzene-1,2-diamine;8-chloro-N-[3-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine.
What is the SMILES notation for bis(8-chloro-N-[3-chloro-4-(trifluoromethoxy)phenyl]quinolin-2-amine);8-chloro-N-(3-fluorophenyl)quinolin-2-amine;8-chloro-N-(4-methoxyphenyl)quinolin-2-amine;1-N-(8-chloroquinolin-2-yl)-4-(trifluoromethoxy)benzene-1,2-diamine;8-chloro-N-[3-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine?
The canonical SMILES for bis(8-chloro-N-[3-chloro-4-(trifluoromethoxy)phenyl]quinolin-2-amine);8-chloro-N-(3-fluorophenyl)quinolin-2-amine;8-chloro-N-(4-methoxyphenyl)quinolin-2-amine;1-N-(8-chloroquinolin-2-yl)-4-(trifluoromethoxy)benzene-1,2-diamine;8-chloro-N-[3-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine is COc1ccc(Nc2ccc3cccc(Cl)c3n2)cc1.FC(F)(F)Oc1ccc(Nc2ccc3cccc(Cl)c3n2)cc1.FC(F)(F)Oc1ccc(Nc2ccc3cccc(Cl)c3n2)cc1Cl.FC(F)(F)Oc1ccc(Nc2ccc3cccc(Cl)c3n2)cc1Cl.FC(F)(F)Oc1cccc(Nc2ccc3cccc(Cl)c3n2)c1.FC(F)(F)c1ccnc(Nc2ccc3cccc(Cl)c3n2)c1.Fc1cccc(Nc2ccc3cccc(Cl)c3n2)c1.Nc1cc(OC(F)(F)F)ccc1Nc1ccc2cccc(Cl)c2n1.
What is the InChIKey of bis(8-chloro-N-[3-chloro-4-(trifluoromethoxy)phenyl]quinolin-2-amine);8-chloro-N-(3-fluorophenyl)quinolin-2-amine;8-chloro-N-(4-methoxyphenyl)quinolin-2-amine;1-N-(8-chloroquinolin-2-yl)-4-(trifluoromethoxy)benzene-1,2-diamine;8-chloro-N-[3-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine?
The InChIKey is UWBHCWHHNBUKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H9Cl2F3N2O.C16H11ClF3N3O.2C16H10ClF3N2O.C16H13ClN2O.C15H9ClF3N3.C15H10ClFN2/c2*17-11-3-1-2-9-4-7-14(23-15(9)11)22-10-5-6-13(12(18)8-10)24-16(19,20)21;17-11-3-1-2-9-4-7-14(23-15(9)11)22-13-6-5-10(8-12(13)21)24-16(18,19)20;17-13-6-1-3-10-7-8-14(22-15(10)13)21-11-4-2-5-12(9-11)23-16(18,19)20;17-13-3-1-2-10-4-9-14(22-15(10)13)21-11-5-7-12(8-6-11)23-16(18,19)20;1-20-13-8-6-12(7-9-13)18-15-10-5-11-3-2-4-14(17)16(11)19-15;16-11-3-1-2-9-4-5-12(22-14(9)11)21-13-8-10(6-7-20-13)15(17,18)19;16-13-6-1-3-10-7-8-14(19-15(10)13)18-12-5-2-4-11(17)9-12/h2*1-8H,(H,22,23);1-8H,21H2,(H,22,23);2*1-9H,(H,21,22);2-10H,1H3,(H,18,19);1-8H,(H,20,21,22);1-9H,(H,18,19).
What are the key properties of bis(8-chloro-N-[3-chloro-4-(trifluoromethoxy)phenyl]quinolin-2-amine);8-chloro-N-(3-fluorophenyl)quinolin-2-amine;8-chloro-N-(4-methoxyphenyl)quinolin-2-amine;1-N-(8-chloroquinolin-2-yl)-4-(trifluoromethoxy)benzene-1,2-diamine;8-chloro-N-[3-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine?
bis(8-chloro-N-[3-chloro-4-(trifluoromethoxy)phenyl]quinolin-2-amine);8-chloro-N-(3-fluorophenyl)quinolin-2-amine;8-chloro-N-(4-methoxyphenyl)quinolin-2-amine;1-N-(8-chloroquinolin-2-yl)-4-(trifluoromethoxy)benzene-1,2-diamine;8-chloro-N-[3-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine has a molecular weight of 2658.65 g/mol, XLogP of 43.00, 22 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for bis(8-chloro-N-[3-chloro-4-(trifluoromethoxy)phenyl]quinolin-2-amine);8-chloro-N-(3-fluorophenyl)quinolin-2-amine;8-chloro-N-(4-methoxyphenyl)quinolin-2-amine;1-N-(8-chloroquinolin-2-yl)-4-(trifluoromethoxy)benzene-1,2-diamine;8-chloro-N-[3-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine is sourced from PubChem (CID 161209621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).