2-(5-chloro-2-fluorophenyl)-4-imidazo[4,5-c]pyridin-1-ylquinoline;2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[7-(trifluoromethyl)quinolin-4-yl]quinolin-4-amine;2-phenyl-N-pyridin-4-ylquinolin-4-amine

C91H58Cl3F6N13O — CID 157084413

IUPAC2-(5-chloro-2-fluorophenyl)-4-imidazo[4,5-c]pyridin-1-ylquinoline;2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[7-(trifluoromethyl)quinolin-4-yl]quinolin-4-amine;2-phenyl-N-pyridin-4-ylquinolin-4-amine
SMILESCOc1ccc2c(Nc3cc(-c4cc(Cl)ccc4F)nc4ccccc34)ccnc2c1.Fc1ccc(Cl)cc1-c1cc(-n2cnc3cnccc32)c2ccccc2n1.Fc1ccc(Cl)cc1-c1cc(Nc2ccnc3cc(C(F)(F)F)ccc23)c2ccccc2n1.c1ccc(-c2cc(Nc3ccncc3)c3ccccc3n2)cc1
InChIInChI=1S/C25H14ClF4N3.C25H17ClFN3O.C21H12ClFN4.C20H15N3/c26-15-6-8-19(27)18(12-15)24-13-23(16-3-1-2-4-20(16)32-24)33-21-9-10-31-22-11-14(25(28,29)30)5-7-17(21)22;1-31-16-7-8-18-22(10-11-28-23(18)13-16)30-24-14-25(19-12-15(26)6-9-20(19)27)29-21-5-3-2-4-17(21)24;22-13-5-6-16(23)15(9-13)18-10-21(14-3-1-2-4-17(14)26-18)27-12-25-19-11-24-8-7-20(19)27;1-2-6-15(7-3-1)19-14-20(22-16-10-12-21-13-11-16)17-8-4-5-9-18(17)23-19/h1-13H,(H,31,32,33);2-14H,1H3,(H,28,29,30);1-12H;1-14H,(H,21,22,23)
InChIKeyADXQIYPKVCQFCQ-UHFFFAOYSA-N
MW1569.90 g/mol
LogP25.47
Rot. Bonds12

About 2-(5-chloro-2-fluorophenyl)-4-imidazo[4,5-c]pyridin-1-ylquinoline;2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[7-(trifluoromethyl)quinolin-4-yl]quinolin-4-amine;2-phenyl-N-pyridin-4-ylquinolin-4-amine

2-(5-chloro-2-fluorophenyl)-4-imidazo[4,5-c]pyridin-1-ylquinoline;2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[7-(trifluoromethyl)quinolin-4-yl]quinolin-4-amine;2-phenyl-N-pyridin-4-ylquinolin-4-amine (PubChem CID 157084413) has the molecular formula C91H58Cl3F6N13O and a molecular weight of 1569.90 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-4-imidazo[4,5-c]pyridin-1-ylquinoline;2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[7-(trifluoromethyl)quinolin-4-yl]quinolin-4-amine;2-phenyl-N-pyridin-4-ylquinolin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-4-imidazo[4,5-c]pyridin-1-ylquinoline;2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[7-(trifluoromethyl)quinolin-4-yl]quinolin-4-amine;2-phenyl-N-pyridin-4-ylquinolin-4-amine
PubChem CID157084413
Molecular FormulaC91H58Cl3F6N13O
Molecular Weight1569.90 g/mol
Exact Mass1567.39
IUPAC Name2-(5-chloro-2-fluorophenyl)-4-imidazo[4,5-c]pyridin-1-ylquinoline;2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[7-(trifluoromethyl)quinolin-4-yl]quinolin-4-amine;2-phenyl-N-pyridin-4-ylquinolin-4-amine
SMILESCOc1ccc2c(Nc3cc(-c4cc(Cl)ccc4F)nc4ccccc34)ccnc2c1.Fc1ccc(Cl)cc1-c1cc(-n2cnc3cnccc32)c2ccccc2n1.Fc1ccc(Cl)cc1-c1cc(Nc2ccnc3cc(C(F)(F)F)ccc23)c2ccccc2n1.c1ccc(-c2cc(Nc3ccncc3)c3ccccc3n2)cc1
InChIInChI=1S/C25H14ClF4N3.C25H17ClFN3O.C21H12ClFN4.C20H15N3/c26-15-6-8-19(27)18(12-15)24-13-23(16-3-1-2-4-20(16)32-24)33-21-9-10-31-22-11-14(25(28,29)30)5-7-17(21)22;1-31-16-7-8-18-22(10-11-28-23(18)13-16)30-24-14-25(19-12-15(26)6-9-20(19)27)29-21-5-3-2-4-17(21)24;22-13-5-6-16(23)15(9-13)18-10-21(14-3-1-2-4-17(14)26-18)27-12-25-19-11-24-8-7-20(19)27;1-2-6-15(7-3-1)19-14-20(22-16-10-12-21-13-11-16)17-8-4-5-9-18(17)23-19/h1-13H,(H,31,32,33);2-14H,1H3,(H,28,29,30);1-12H;1-14H,(H,21,22,23)
InChIKeyADXQIYPKVCQFCQ-UHFFFAOYSA-N
XLogP25.47
TPSA166.26 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001569.90
LogP ≤ 525.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 2-(5-chloro-2-fluorophenyl)-4-imidazo[4,5-c]pyridin-1-ylquinoline;2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[7-(trifluoromethyl)quinolin-4-yl]quinolin-4-amine;2-phenyl-N-pyridin-4-ylquinolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-imidazo[4,5-c]pyridin-1-ylquinoline;2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[7-(trifluoromethyl)quinolin-4-yl]quinolin-4-amine;2-phenyl-N-pyridin-4-ylquinolin-4-amine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-imidazo[4,5-c]pyridin-1-ylquinoline;2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[7-(trifluoromethyl)quinolin-4-yl]quinolin-4-amine;2-phenyl-N-pyridin-4-ylquinolin-4-amine (CID 157084413) is 2-(5-chloro-2-fluorophenyl)-4-imidazo[4,5-c]pyridin-1-ylquinoline;2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[7-(trifluoromethyl)quinolin-4-yl]quinolin-4-amine;2-phenyl-N-pyridin-4-ylquinolin-4-amine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-4-imidazo[4,5-c]pyridin-1-ylquinoline;2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[7-(trifluoromethyl)quinolin-4-yl]quinolin-4-amine;2-phenyl-N-pyridin-4-ylquinolin-4-amine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-4-imidazo[4,5-c]pyridin-1-ylquinoline;2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[7-(trifluoromethyl)quinolin-4-yl]quinolin-4-amine;2-phenyl-N-pyridin-4-ylquinolin-4-amine is COc1ccc2c(Nc3cc(-c4cc(Cl)ccc4F)nc4ccccc34)ccnc2c1.Fc1ccc(Cl)cc1-c1cc(-n2cnc3cnccc32)c2ccccc2n1.Fc1ccc(Cl)cc1-c1cc(Nc2ccnc3cc(C(F)(F)F)ccc23)c2ccccc2n1.c1ccc(-c2cc(Nc3ccncc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-4-imidazo[4,5-c]pyridin-1-ylquinoline;2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[7-(trifluoromethyl)quinolin-4-yl]quinolin-4-amine;2-phenyl-N-pyridin-4-ylquinolin-4-amine?
The InChIKey is ADXQIYPKVCQFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14ClF4N3.C25H17ClFN3O.C21H12ClFN4.C20H15N3/c26-15-6-8-19(27)18(12-15)24-13-23(16-3-1-2-4-20(16)32-24)33-21-9-10-31-22-11-14(25(28,29)30)5-7-17(21)22;1-31-16-7-8-18-22(10-11-28-23(18)13-16)30-24-14-25(19-12-15(26)6-9-20(19)27)29-21-5-3-2-4-17(21)24;22-13-5-6-16(23)15(9-13)18-10-21(14-3-1-2-4-17(14)26-18)27-12-25-19-11-24-8-7-20(19)27;1-2-6-15(7-3-1)19-14-20(22-16-10-12-21-13-11-16)17-8-4-5-9-18(17)23-19/h1-13H,(H,31,32,33);2-14H,1H3,(H,28,29,30);1-12H;1-14H,(H,21,22,23).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-4-imidazo[4,5-c]pyridin-1-ylquinoline;2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[7-(trifluoromethyl)quinolin-4-yl]quinolin-4-amine;2-phenyl-N-pyridin-4-ylquinolin-4-amine?
2-(5-chloro-2-fluorophenyl)-4-imidazo[4,5-c]pyridin-1-ylquinoline;2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[7-(trifluoromethyl)quinolin-4-yl]quinolin-4-amine;2-phenyl-N-pyridin-4-ylquinolin-4-amine has a molecular weight of 1569.90 g/mol, XLogP of 25.47, 12 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-4-imidazo[4,5-c]pyridin-1-ylquinoline;2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[7-(trifluoromethyl)quinolin-4-yl]quinolin-4-amine;2-phenyl-N-pyridin-4-ylquinolin-4-amine is sourced from PubChem (CID 157084413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).