5-bromo-2-(2-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(2-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline

C54H39Br2ClF4N8O2 — CID 159889097

IUPAC5-bromo-2-(2-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(2-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline
SMILESCOc1ccccc1-c1ncc(Br)cc1N.COc1ccccc1-c1ncc(Br)cc1Nc1c(C)c(-c2ccccn2)nc2cc(F)cc(F)c12.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Cl
InChIInChI=1S/C27H19BrF2N4O.C15H9ClF2N2.C12H11BrN2O/c1-15-25(20-8-5-6-10-31-20)33-21-13-17(29)12-19(30)24(21)26(15)34-22-11-16(28)14-32-27(22)18-7-3-4-9-23(18)35-2;1-8-14(16)13-10(18)6-9(17)7-12(13)20-15(8)11-4-2-3-5-19-11;1-16-11-5-3-2-4-9(11)12-10(14)6-8(13)7-15-12/h3-14H,1-2H3,(H,33,34);2-7H,1H3;2-7H,14H2,1H3
InChIKeyNUMZODVDXZFQFY-UHFFFAOYSA-N
MW1103.21 g/mol
LogP15.10
Rot. Bonds8

About 5-bromo-2-(2-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(2-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline

5-bromo-2-(2-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(2-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline (PubChem CID 159889097) has the molecular formula C54H39Br2ClF4N8O2 and a molecular weight of 1103.21 g/mol. Its IUPAC name is 5-bromo-2-(2-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(2-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline.

Molecular Properties

Compound Name5-bromo-2-(2-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(2-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline
PubChem CID159889097
Molecular FormulaC54H39Br2ClF4N8O2
Molecular Weight1103.21 g/mol
Exact Mass1100.12
IUPAC Name5-bromo-2-(2-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(2-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline
SMILESCOc1ccccc1-c1ncc(Br)cc1N.COc1ccccc1-c1ncc(Br)cc1Nc1c(C)c(-c2ccccn2)nc2cc(F)cc(F)c12.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Cl
InChIInChI=1S/C27H19BrF2N4O.C15H9ClF2N2.C12H11BrN2O/c1-15-25(20-8-5-6-10-31-20)33-21-13-17(29)12-19(30)24(21)26(15)34-22-11-16(28)14-32-27(22)18-7-3-4-9-23(18)35-2;1-8-14(16)13-10(18)6-9(17)7-12(13)20-15(8)11-4-2-3-5-19-11;1-16-11-5-3-2-4-9(11)12-10(14)6-8(13)7-15-12/h3-14H,1-2H3,(H,33,34);2-7H,1H3;2-7H,14H2,1H3
InChIKeyNUMZODVDXZFQFY-UHFFFAOYSA-N
XLogP15.10
TPSA133.85 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001103.21
LogP ≤ 515.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-bromo-2-(2-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(2-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline with MolForge

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Launch Full Analysis

Related Compounds

N-(5-bromo-5'-fluoro-2'-methoxy-2,4'-bipyridin-3-yl)-5,7-difluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-amine
CID 59631176
5,7-difluoro-N-(2-(2-methoxyphenyl)-5-morpholinopyridin-3-yl)-3-methyl-2-(pyridin-2-yl)quinolin-4-amine
CID 59631182
N-(5-bromo-2-(3-methoxyphenyl)pyridin-3-yl)-5,7-difluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-amine
CID 59631213
N-(5-bromo-2-(2-methoxyphenyl)pyridin-3-yl)-5,7-difluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-amine
CID 59631297
N-(5-bromo-6'-methoxy-2,3'-bipyridin-3-yl)-5,7-difluoro-3-methyl-2-(pyridin-2-yl)-quinolin-4-amine
CID 59631310
5,7-difluoro-N-(2-(2-methoxyphenyl)-3-pyridinyl)-3-methyl-2-(2-pyridinyl)-4-quinolinamine
CID 59631332
N-(5-bromo-2-(4-methoxyphenyl)pyridin-3-yl)-5,7-difluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-amine
CID 59631355
N-(2,5-bis(2-methoxyphenyl)-3-pyridinyl)-5,7-difluoro-3-methyl-2-(2-pyridinyl)-4-quinolinamine
CID 59631438
5,7-difluoro-N-[2-(2-methoxyphenyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 91323097
2-[2-[3-fluoro-2-methoxy-5-[(2-pyridin-4-ylquinolin-4-yl)amino]phenyl]-4-pyridinyl]-N-(4-methoxy-3-methylphenyl)quinolin-4-amine
CID 143235183
2-[Butyl-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-(2-methoxyphenyl)-3-pyridinyl]amino]ethanol
CID 144115103
5-fluoro-N-[2-(2-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 149978428

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(2-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline?
The IUPAC name of 5-bromo-2-(2-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(2-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline (CID 159889097) is 5-bromo-2-(2-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(2-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline.
What is the SMILES notation for 5-bromo-2-(2-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(2-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline?
The canonical SMILES for 5-bromo-2-(2-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(2-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline is COc1ccccc1-c1ncc(Br)cc1N.COc1ccccc1-c1ncc(Br)cc1Nc1c(C)c(-c2ccccn2)nc2cc(F)cc(F)c12.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Cl.
What is the InChIKey of 5-bromo-2-(2-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(2-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline?
The InChIKey is NUMZODVDXZFQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19BrF2N4O.C15H9ClF2N2.C12H11BrN2O/c1-15-25(20-8-5-6-10-31-20)33-21-13-17(29)12-19(30)24(21)26(15)34-22-11-16(28)14-32-27(22)18-7-3-4-9-23(18)35-2;1-8-14(16)13-10(18)6-9(17)7-12(13)20-15(8)11-4-2-3-5-19-11;1-16-11-5-3-2-4-9(11)12-10(14)6-8(13)7-15-12/h3-14H,1-2H3,(H,33,34);2-7H,1H3;2-7H,14H2,1H3.
What are the key properties of 5-bromo-2-(2-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(2-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline?
5-bromo-2-(2-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(2-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline has a molecular weight of 1103.21 g/mol, XLogP of 15.10, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(2-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline is sourced from PubChem (CID 159889097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).