5-bromo-2-(3-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(3-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 159030186

IUPAC5-bromo-2-(3-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(3-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
SMILESCOc1cccc(-c2ncc(Br)cc2N)c1.COc1cccc(-c2ncc(Br)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c1.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Cl
InChIInChI=1S/C27H19BrF2N4O.C15H9ClF2N2.C12H11BrN2O/c1-15-25(21-8-3-4-9-31-21)33-22-13-18(29)12-20(30)24(22)26(15)34-23-11-17(28)14-32-27(23)16-6-5-7-19(10-16)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;1-16-10-4-2-3-8(5-10)12-11(14)6-9(13)7-15-12/h3-14H,1-2H3,(H,33,34);2-7H,1H3;2-7H,14H2,1H3
InChIKeyJUUCKOLKVHWRET-UHFFFAOYSA-N
MW1103.21 g/mol
LogP15.10
Rot. Bonds8

About 5-bromo-2-(3-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(3-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-(3-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(3-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 159030186) has the molecular formula C54H39Br2ClF4N8O2 and a molecular weight of 1103.21 g/mol. Its IUPAC name is 5-bromo-2-(3-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(3-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-(3-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(3-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 CID159030186
Molecular FormulaC54H39Br2ClF4N8O2
Molecular Weight1103.21 g/mol
Exact Mass1100.12
IUPAC Name5-bromo-2-(3-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(3-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
SMILESCOc1cccc(-c2ncc(Br)cc2N)c1.COc1cccc(-c2ncc(Br)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c1.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Cl
InChIInChI=1S/C27H19BrF2N4O.C15H9ClF2N2.C12H11BrN2O/c1-15-25(21-8-3-4-9-31-21)33-22-13-18(29)12-20(30)24(22)26(15)34-23-11-17(28)14-32-27(23)16-6-5-7-19(10-16)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;1-16-10-4-2-3-8(5-10)12-11(14)6-9(13)7-15-12/h3-14H,1-2H3,(H,33,34);2-7H,1H3;2-7H,14H2,1H3
InChIKeyJUUCKOLKVHWRET-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-(3-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(3-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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
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
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-(3-methoxyphenyl)-5-(4-morpholinyl)-3-pyridinyl)-3-methyl-2-(2-pyridinyl)-4-quinolinamine
CID 59631520
N-(2-(3-(difluoromethoxy)phenyl)-5-morpholinopyridin-3-yl)-5,7-difluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-amine
CID 59631562
N-(6-chloro-5'-methoxy-3,3'-bipyridin-4-yl)-5,7-difluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-amine
CID 86680922
5,7-difluoro-N-[2-(3-methoxyphenyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 91227349
5,7-difluoro-N-[5-[2-methoxy-4-(2-methylpropyl)phenyl]-2-(2-methoxyphenyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 91565970
8-[3-[3-Bromo-4-[3,4-dichloro-5-(3-methylisoquinolin-1-yl)isoquinolin-1-yl]isoquinolin-1-yl]isoquinolin-1-yl]-3-fluoro-6-methoxy-7-methyl-4-quinolin-2-yl-5-(quinolin-2-ylmethyl)quinoline
CID 123493868

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(3-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-(3-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(3-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 159030186) is 5-bromo-2-(3-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(3-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-(3-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(3-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-(3-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(3-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 COc1cccc(-c2ncc(Br)cc2N)c1.COc1cccc(-c2ncc(Br)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c1.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Cl.
What is the InChIKey of 5-bromo-2-(3-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(3-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 JUUCKOLKVHWRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19BrF2N4O.C15H9ClF2N2.C12H11BrN2O/c1-15-25(21-8-3-4-9-31-21)33-22-13-18(29)12-20(30)24(22)26(15)34-23-11-17(28)14-32-27(23)16-6-5-7-19(10-16)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;1-16-10-4-2-3-8(5-10)12-11(14)6-9(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-(3-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(3-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-(3-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(3-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-(3-methoxyphenyl)pyridin-3-amine;N-[5-bromo-2-(3-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 159030186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).