N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[5-[3-(difluoromethyl)phenyl]-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-[3-(difluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C68H62BBrF8N10O4 — CID 159493226

IUPACN-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[5-[3-(difluoromethyl)phenyl]-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-[3-(difluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cccc(C(F)F)c2)OC1(C)C.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1cccc(C(F)F)c1.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1Br
InChIInChI=1S/C31H25F4N5O.C24H20BrF2N5O.C13H17BF2O2/c1-18-29(24-7-2-3-8-36-24)39-26-15-21(32)14-23(33)28(26)30(18)38-25-16-27(40-9-11-41-12-10-40)37-17-22(25)19-5-4-6-20(13-19)31(34)35;1-14-23(18-4-2-3-5-28-18)31-20-11-15(26)10-17(27)22(20)24(14)30-19-12-21(29-13-16(19)25)32-6-8-33-9-7-32;1-12(2)13(3,4)18-14(17-12)10-7-5-6-9(8-10)11(15)16/h2-8,13-17,31H,9-12H2,1H3,(H,37,38,39);2-5,10-13H,6-9H2,1H3,(H,29,30,31);5-8,11H,1-4H3
InChIKeyLYLNDTAVHOIDCW-UHFFFAOYSA-N
MW1326.01 g/mol
LogP16.01
Rot. Bonds12

About N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[5-[3-(difluoromethyl)phenyl]-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-[3-(difluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[5-[3-(difluoromethyl)phenyl]-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-[3-(difluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 159493226) has the molecular formula C68H62BBrF8N10O4 and a molecular weight of 1326.01 g/mol. Its IUPAC name is N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[5-[3-(difluoromethyl)phenyl]-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-[3-(difluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound NameN-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[5-[3-(difluoromethyl)phenyl]-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-[3-(difluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID159493226
Molecular FormulaC68H62BBrF8N10O4
Molecular Weight1326.01 g/mol
Exact Mass1324.41
IUPAC NameN-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[5-[3-(difluoromethyl)phenyl]-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-[3-(difluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cccc(C(F)F)c2)OC1(C)C.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1cccc(C(F)F)c1.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1Br
InChIInChI=1S/C31H25F4N5O.C24H20BrF2N5O.C13H17BF2O2/c1-18-29(24-7-2-3-8-36-24)39-26-15-21(32)14-23(33)28(26)30(18)38-25-16-27(40-9-11-41-12-10-40)37-17-22(25)19-5-4-6-20(13-19)31(34)35;1-14-23(18-4-2-3-5-28-18)31-20-11-15(26)10-17(27)22(20)24(14)30-19-12-21(29-13-16(19)25)32-6-8-33-9-7-32;1-12(2)13(3,4)18-14(17-12)10-7-5-6-9(8-10)11(15)16/h2-8,13-17,31H,9-12H2,1H3,(H,37,38,39);2-5,10-13H,6-9H2,1H3,(H,29,30,31);5-8,11H,1-4H3
InChIKeyLYLNDTAVHOIDCW-UHFFFAOYSA-N
XLogP16.01
TPSA144.80 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001326.01
LogP ≤ 516.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[5-[3-(difluoromethyl)phenyl]-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-[3-(difluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 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

N-(2,5-di-4-morpholinyl-3-pyridinyl)-5,8-difluoro-3-methyl-2-(2-pyridinyl)-4-quinolinamine
CID 50906358
N-(2,5-di-4-morpholinyl-3-pyridinyl)-3-ethyl-5,7-difluoro-2-(2-pyridinyl)-4-quinolinamine
CID 50906359
N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinolin-4-amine
CID 50906575
N-(2-(2,2-dimethyl-4-morpholinyl)-5-(4-morpholinyl)-3-pyridinyl)-5,7-difluoro-3-methyl-2-(2-pyridinyl)-4-quinolinamine
CID 50906788
5,7-difluoro-N-(5-(4-methoxy-1-piperidinyl)-2-(4-morpholinyl)-3-pyridinyl)-3-methyl-2-(2-pyridinyl)-4-quinolinamine
CID 50906993
N-(5-(2,2-dimethyl-4-morpholinyl)-2-(4-morpholinyl)-3-pyridinyl)-5-fluoro-3-methyl-2-(2-pyridinyl)-4-quinolinamine
CID 50907188
5,7-difluoro-3-methyl-N-(2-morpholino-5-(3-(trifluoromethyl)phenyl)pyridin-4-yl)-2-(pyridin-2-yl)quinolin-4-amine
CID 56597405
5,7-difluoro-3-methyl-N-(2-morpholino-5-(4-(trifluoromethyl)phenyl)pyridin-4-yl)-2-(pyridin-2-yl)quinolin-4-amine
CID 56597536
5,7-difluoro-3-methyl-N-(2-morpholino-5-(piperidin-4-yl)pyridin-4-yl)-2-(pyridin-2-yl)quinolin-4-amine
CID 56597846
5,7-difluoro-3-methyl-N-(6-morpholino-5'-(trifluoromethyl)-3,3'-bipyridin-4-yl)-2-(pyridin-2-yl)-quinolin-4-amine
CID 56597981
N-(2,5-dimorpholinopyridin-3-yl)-5,7-difluoro-3-methyl-2-(6-(4-methylpiperidin-1-yl)pyridin-3-yl)quinolin-4-amine
CID 59631082
N-(2,5-dimorpholinopyridin-3-yl)-5,7-difluoro-3-methyl-2-(2-(4-methylpiperazin-1-yl)pyridin-4-yl)quinolin-4-amine
CID 59631096

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[5-[3-(difluoromethyl)phenyl]-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-[3-(difluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[5-[3-(difluoromethyl)phenyl]-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-[3-(difluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 159493226) is N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[5-[3-(difluoromethyl)phenyl]-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-[3-(difluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[5-[3-(difluoromethyl)phenyl]-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-[3-(difluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[5-[3-(difluoromethyl)phenyl]-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-[3-(difluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2cccc(C(F)F)c2)OC1(C)C.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1cccc(C(F)F)c1.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1Br.
What is the InChIKey of N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[5-[3-(difluoromethyl)phenyl]-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-[3-(difluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is LYLNDTAVHOIDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F4N5O.C24H20BrF2N5O.C13H17BF2O2/c1-18-29(24-7-2-3-8-36-24)39-26-15-21(32)14-23(33)28(26)30(18)38-25-16-27(40-9-11-41-12-10-40)37-17-22(25)19-5-4-6-20(13-19)31(34)35;1-14-23(18-4-2-3-5-28-18)31-20-11-15(26)10-17(27)22(20)24(14)30-19-12-21(29-13-16(19)25)32-6-8-33-9-7-32;1-12(2)13(3,4)18-14(17-12)10-7-5-6-9(8-10)11(15)16/h2-8,13-17,31H,9-12H2,1H3,(H,37,38,39);2-5,10-13H,6-9H2,1H3,(H,29,30,31);5-8,11H,1-4H3.
What are the key properties of N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[5-[3-(difluoromethyl)phenyl]-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-[3-(difluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[5-[3-(difluoromethyl)phenyl]-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-[3-(difluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 1326.01 g/mol, XLogP of 16.01, 12 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[5-[3-(difluoromethyl)phenyl]-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-[3-(difluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 159493226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).