N-[5-bromo-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine

C56H42BrF6N11O3 — CID 159149905

IUPACN-[5-bromo-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1cc(-c2ncc(Br)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c(F)cn1.COc1cc(-c2ncc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c(F)cn1
InChIInChI=1S/C30H25F3N6O2.C26H17BrF3N5O/c1-17-28(23-5-3-4-6-34-23)37-24-12-18(31)11-21(32)27(24)29(17)38-25-13-19(39-7-9-41-10-8-39)15-36-30(25)20-14-26(40-2)35-16-22(20)33;1-13-24(19-5-3-4-6-31-19)34-20-9-15(28)8-17(29)23(20)25(13)35-21-7-14(27)11-33-26(21)16-10-22(36-2)32-12-18(16)30/h3-6,11-16H,7-10H2,1-2H3,(H,37,38);3-12H,1-2H3,(H,34,35)
InChIKeyKJDKXFREESFPPH-UHFFFAOYSA-N
MW1110.92 g/mol
LogP13.06
Rot. Bonds11

About N-[5-bromo-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine

N-[5-bromo-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 159149905) has the molecular formula C56H42BrF6N11O3 and a molecular weight of 1110.92 g/mol. Its IUPAC name is N-[5-bromo-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-[5-bromo-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID159149905
Molecular FormulaC56H42BrF6N11O3
Molecular Weight1110.92 g/mol
Exact Mass1109.26
IUPAC NameN-[5-bromo-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1cc(-c2ncc(Br)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c(F)cn1.COc1cc(-c2ncc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c(F)cn1
InChIInChI=1S/C30H25F3N6O2.C26H17BrF3N5O/c1-17-28(23-5-3-4-6-34-23)37-24-12-18(31)11-21(32)27(24)29(17)38-25-13-19(39-7-9-41-10-8-39)15-36-30(25)20-14-26(40-2)35-16-22(20)33;1-13-24(19-5-3-4-6-31-19)34-20-9-15(28)8-17(29)23(20)25(13)35-21-7-14(27)11-33-26(21)16-10-22(36-2)32-12-18(16)30/h3-6,11-16H,7-10H2,1-2H3,(H,37,38);3-12H,1-2H3,(H,34,35)
InChIKeyKJDKXFREESFPPH-UHFFFAOYSA-N
XLogP13.06
TPSA158.11 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001110.92
LogP ≤ 513.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze N-[5-bromo-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine 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

4-(3-(5,7-Difluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-ylamino)-5-morpholinopyridin-2-yl)phenol
CID 136027097
N-[(4-bromophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 154685081
N-[(4-bromo-2,5-difluorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 164620156
N-[(4-bromo-3-fluorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 164625157
N-[(4-bromo-3,5-difluorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 164625382
N-[(4-bromo-2,3-difluorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 164625458
1'-(5,7-Difluoro-2-(2-methoxy-4-pyridinyl)-3-methyl-4-quinolinyl)-6'-(4-morpholinyl)-1',2,2',3,5,6-hexahydrospiro-[pyran-4,3'-pyrrolo[3,2-b]pyridine]
CID 67285595
[2-(5-Bromo-2-methoxy(4-pyridyl))(4-quinolyl)](3-piperidylpropyl)amine
CID 141703770
N-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 10392057
N-(2,5-di-4-morpholinyl-3-pyridinyl)-5,7-difluoro-2-(6-methoxy-2-pyridinyl)-3-methyl-4-quinolinamine
CID 50906572
N-(2-(4-(difluoromethoxy)phenyl)-5-morpholinopyridin-3-yl)-5,7-difluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-amine
CID 50907386
5,7-difluoro-N-(2-(4-methoxy-2,6-dimethylphenyl)-5-morpholinopyridin-3-yl)-3-methyl-2-(pyridin-2-yl)quinolin-4-amine
CID 50907388

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of N-[5-bromo-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 159149905) is N-[5-bromo-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for N-[5-bromo-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for N-[5-bromo-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine is COc1cc(-c2ncc(Br)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c(F)cn1.COc1cc(-c2ncc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c(F)cn1.
What is the InChIKey of N-[5-bromo-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is KJDKXFREESFPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F3N6O2.C26H17BrF3N5O/c1-17-28(23-5-3-4-6-34-23)37-24-12-18(31)11-21(32)27(24)29(17)38-25-13-19(39-7-9-41-10-8-39)15-36-30(25)20-14-26(40-2)35-16-22(20)33;1-13-24(19-5-3-4-6-31-19)34-20-9-15(28)8-17(29)23(20)25(13)35-21-7-14(27)11-33-26(21)16-10-22(36-2)32-12-18(16)30/h3-6,11-16H,7-10H2,1-2H3,(H,37,38);3-12H,1-2H3,(H,34,35).
What are the key properties of N-[5-bromo-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
N-[5-bromo-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 1110.92 g/mol, XLogP of 13.06, 11 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-(5-fluoro-2-methoxy-4-pyridinyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 159149905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).