6-(3-amino-4-chlorophenyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylsulfonylmethyl)phenyl]quinolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]quinolin-4-amine

C143H116Cl10F4N26O8S2 — CID 157364894

IUPAC6-(3-amino-4-chlorophenyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylsulfonylmethyl)phenyl]quinolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]quinolin-4-amine
SMILESCS(=O)(=O)Cc1cc(-c2ccc3nccc(Nc4ccc(F)c(Cl)c4)c3c2)ccc1Cl.CS(=O)(=O)Cc1cc(-c2ccc3nccc(Nc4ccc(F)c(Cl)c4)c3c2)cnc1Cl.Clc1cccc(Nc2ccnc3ccc(-c4cncc(-c5nnc(NCCN6CCOCC6)o5)c4)cc23)c1.Nc1cc(-c2ccc3nccc(Nc4ccc(F)c(Cl)c4)c3c2)ccc1Cl.Nc1cc(-c2ccc3nccc(Nc4ccc(F)c(Cl)c4)c3c2)cnc1Cl.O=C(NCCN1CCCCC1)NCC(=O)c1cncc(-c2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)c1
InChIInChI=1S/C29H30ClN7O2.C28H26ClN7O2.C23H17Cl2FN2O2S.C22H16Cl2FN3O2S.C21H14Cl2FN3.C20H13Cl2FN4/c30-23-5-4-6-24(15-23)36-28-25-14-20(7-8-26(25)34-19-35-28)21-13-22(17-31-16-21)27(38)18-33-29(39)32-9-12-37-10-2-1-3-11-37;29-22-2-1-3-23(16-22)33-26-6-7-31-25-5-4-19(15-24(25)26)20-14-21(18-30-17-20)27-34-35-28(38-27)32-8-9-36-10-12-37-13-11-36;1-31(29,30)13-16-10-14(2-5-19(16)24)15-3-7-22-18(11-15)23(8-9-27-22)28-17-4-6-21(26)20(25)12-17;1-31(29,30)12-15-8-14(11-27-22(15)24)13-2-5-20-17(9-13)21(6-7-26-20)28-16-3-4-19(25)18(23)10-16;22-16-4-1-13(10-19(16)25)12-2-6-20-15(9-12)21(7-8-26-20)27-14-3-5-18(24)17(23)11-14;21-15-9-13(2-3-16(15)23)27-19-5-6-25-18-4-1-11(7-14(18)19)12-8-17(24)20(22)26-10-12/h4-8,13-17,19H,1-3,9-12,18H2,(H2,32,33,39)(H,34,35,36);1-7,14-18H,8-13H2,(H,31,33)(H,32,35);2-12H,13H2,1H3,(H,27,28);2-11H,12H2,1H3,(H,26,28);1-11H,25H2,(H,26,27);1-10H,24H2,(H,25,27)
InChIKeyBJBIRGWCFFGZKG-UHFFFAOYSA-N
MW2821.33 g/mol
LogP35.95
Rot. Bonds33

About 6-(3-amino-4-chlorophenyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylsulfonylmethyl)phenyl]quinolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]quinolin-4-amine

6-(3-amino-4-chlorophenyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylsulfonylmethyl)phenyl]quinolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]quinolin-4-amine (PubChem CID 157364894) has the molecular formula C143H116Cl10F4N26O8S2 and a molecular weight of 2821.33 g/mol. Its IUPAC name is 6-(3-amino-4-chlorophenyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylsulfonylmethyl)phenyl]quinolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]quinolin-4-amine.

Molecular Properties

Compound Name6-(3-amino-4-chlorophenyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylsulfonylmethyl)phenyl]quinolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]quinolin-4-amine
PubChem CID157364894
Molecular FormulaC143H116Cl10F4N26O8S2
Molecular Weight2821.33 g/mol
Exact Mass2814.57
IUPAC Name6-(3-amino-4-chlorophenyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylsulfonylmethyl)phenyl]quinolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]quinolin-4-amine
SMILESCS(=O)(=O)Cc1cc(-c2ccc3nccc(Nc4ccc(F)c(Cl)c4)c3c2)ccc1Cl.CS(=O)(=O)Cc1cc(-c2ccc3nccc(Nc4ccc(F)c(Cl)c4)c3c2)cnc1Cl.Clc1cccc(Nc2ccnc3ccc(-c4cncc(-c5nnc(NCCN6CCOCC6)o5)c4)cc23)c1.Nc1cc(-c2ccc3nccc(Nc4ccc(F)c(Cl)c4)c3c2)ccc1Cl.Nc1cc(-c2ccc3nccc(Nc4ccc(F)c(Cl)c4)c3c2)cnc1Cl.O=C(NCCN1CCCCC1)NCC(=O)c1cncc(-c2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)c1
InChIInChI=1S/C29H30ClN7O2.C28H26ClN7O2.C23H17Cl2FN2O2S.C22H16Cl2FN3O2S.C21H14Cl2FN3.C20H13Cl2FN4/c30-23-5-4-6-24(15-23)36-28-25-14-20(7-8-26(25)34-19-35-28)21-13-22(17-31-16-21)27(38)18-33-29(39)32-9-12-37-10-2-1-3-11-37;29-22-2-1-3-23(16-22)33-26-6-7-31-25-5-4-19(15-24(25)26)20-14-21(18-30-17-20)27-34-35-28(38-27)32-8-9-36-10-12-37-13-11-36;1-31(29,30)13-16-10-14(2-5-19(16)24)15-3-7-22-18(11-15)23(8-9-27-22)28-17-4-6-21(26)20(25)12-17;1-31(29,30)12-15-8-14(11-27-22(15)24)13-2-5-20-17(9-13)21(6-7-26-20)28-16-3-4-19(25)18(23)10-16;22-16-4-1-13(10-19(16)25)12-2-6-20-15(9-12)21(7-8-26-20)27-14-3-5-18(24)17(23)11-14;21-15-9-13(2-3-16(15)23)27-19-5-6-25-18-4-1-11(7-14(18)19)12-8-17(24)20(22)26-10-12/h4-8,13-17,19H,1-3,9-12,18H2,(H2,32,33,39)(H,34,35,36);1-7,14-18H,8-13H2,(H,31,33)(H,32,35);2-12H,13H2,1H3,(H,27,28);2-11H,12H2,1H3,(H,26,28);1-11H,25H2,(H,26,27);1-10H,24H2,(H,25,27)
InChIKeyBJBIRGWCFFGZKG-UHFFFAOYSA-N
XLogP35.95
TPSA459.15 Ų
H-Bond Donors11
H-Bond Acceptors32
Rotatable Bonds33
Heavy Atoms193
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002821.33
LogP ≤ 535.95
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-(3-amino-4-chlorophenyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylsulfonylmethyl)phenyl]quinolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]quinolin-4-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-4-chlorophenyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylsulfonylmethyl)phenyl]quinolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]quinolin-4-amine?
The IUPAC name of 6-(3-amino-4-chlorophenyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylsulfonylmethyl)phenyl]quinolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]quinolin-4-amine (CID 157364894) is 6-(3-amino-4-chlorophenyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylsulfonylmethyl)phenyl]quinolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]quinolin-4-amine.
What is the SMILES notation for 6-(3-amino-4-chlorophenyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylsulfonylmethyl)phenyl]quinolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]quinolin-4-amine?
The canonical SMILES for 6-(3-amino-4-chlorophenyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylsulfonylmethyl)phenyl]quinolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]quinolin-4-amine is CS(=O)(=O)Cc1cc(-c2ccc3nccc(Nc4ccc(F)c(Cl)c4)c3c2)ccc1Cl.CS(=O)(=O)Cc1cc(-c2ccc3nccc(Nc4ccc(F)c(Cl)c4)c3c2)cnc1Cl.Clc1cccc(Nc2ccnc3ccc(-c4cncc(-c5nnc(NCCN6CCOCC6)o5)c4)cc23)c1.Nc1cc(-c2ccc3nccc(Nc4ccc(F)c(Cl)c4)c3c2)ccc1Cl.Nc1cc(-c2ccc3nccc(Nc4ccc(F)c(Cl)c4)c3c2)cnc1Cl.O=C(NCCN1CCCCC1)NCC(=O)c1cncc(-c2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)c1.
What is the InChIKey of 6-(3-amino-4-chlorophenyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylsulfonylmethyl)phenyl]quinolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]quinolin-4-amine?
The InChIKey is BJBIRGWCFFGZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClN7O2.C28H26ClN7O2.C23H17Cl2FN2O2S.C22H16Cl2FN3O2S.C21H14Cl2FN3.C20H13Cl2FN4/c30-23-5-4-6-24(15-23)36-28-25-14-20(7-8-26(25)34-19-35-28)21-13-22(17-31-16-21)27(38)18-33-29(39)32-9-12-37-10-2-1-3-11-37;29-22-2-1-3-23(16-22)33-26-6-7-31-25-5-4-19(15-24(25)26)20-14-21(18-30-17-20)27-34-35-28(38-27)32-8-9-36-10-12-37-13-11-36;1-31(29,30)13-16-10-14(2-5-19(16)24)15-3-7-22-18(11-15)23(8-9-27-22)28-17-4-6-21(26)20(25)12-17;1-31(29,30)12-15-8-14(11-27-22(15)24)13-2-5-20-17(9-13)21(6-7-26-20)28-16-3-4-19(25)18(23)10-16;22-16-4-1-13(10-19(16)25)12-2-6-20-15(9-12)21(7-8-26-20)27-14-3-5-18(24)17(23)11-14;21-15-9-13(2-3-16(15)23)27-19-5-6-25-18-4-1-11(7-14(18)19)12-8-17(24)20(22)26-10-12/h4-8,13-17,19H,1-3,9-12,18H2,(H2,32,33,39)(H,34,35,36);1-7,14-18H,8-13H2,(H,31,33)(H,32,35);2-12H,13H2,1H3,(H,27,28);2-11H,12H2,1H3,(H,26,28);1-11H,25H2,(H,26,27);1-10H,24H2,(H,25,27).
What are the key properties of 6-(3-amino-4-chlorophenyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylsulfonylmethyl)phenyl]quinolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]quinolin-4-amine?
6-(3-amino-4-chlorophenyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylsulfonylmethyl)phenyl]quinolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]quinolin-4-amine has a molecular weight of 2821.33 g/mol, XLogP of 35.95, 33 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-4-chlorophenyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;6-(5-amino-6-chloro-3-pyridinyl)-N-(3-chloro-4-fluorophenyl)quinolin-4-amine;1-[2-[5-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridinyl]-2-oxoethyl]-3-(2-piperidin-1-ylethyl)urea;5-[5-[4-(3-chloroanilino)quinolin-6-yl]-3-pyridinyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine;N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylsulfonylmethyl)phenyl]quinolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]quinolin-4-amine is sourced from PubChem (CID 157364894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).