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

C54H41ClF4N8O2 — CID 162078548

IUPAC4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[2-(2-methoxyphenyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(2-methoxyphenyl)pyridin-3-amine
SMILESCOc1ccccc1-c1ncccc1N.COc1ccccc1-c1ncccc1Nc1c(C)c(-c2ccccn2)nc2cc(F)cc(F)c12.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Cl
InChIInChI=1S/C27H20F2N4O.C15H9ClF2N2.C12H12N2O/c1-16-25(20-9-5-6-12-30-20)33-22-15-17(28)14-19(29)24(22)26(16)32-21-10-7-13-31-27(21)18-8-3-4-11-23(18)34-2;1-8-14(16)13-10(18)6-9(17)7-12(13)20-15(8)11-4-2-3-5-19-11;1-15-11-7-3-2-5-9(11)12-10(13)6-4-8-14-12/h3-15H,1-2H3,(H,32,33);2-7H,1H3;2-8H,13H2,1H3
InChIKeyZCAKNTSDMLRMKD-UHFFFAOYSA-N
MW945.42 g/mol
LogP13.57
Rot. Bonds8

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

4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[2-(2-methoxyphenyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(2-methoxyphenyl)pyridin-3-amine (PubChem CID 162078548) has the molecular formula C54H41ClF4N8O2 and a molecular weight of 945.42 g/mol. Its IUPAC name is 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[2-(2-methoxyphenyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(2-methoxyphenyl)pyridin-3-amine.

Molecular Properties

Compound Name4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[2-(2-methoxyphenyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(2-methoxyphenyl)pyridin-3-amine
PubChem CID162078548
Molecular FormulaC54H41ClF4N8O2
Molecular Weight945.42 g/mol
Exact Mass944.30
IUPAC Name4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[2-(2-methoxyphenyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(2-methoxyphenyl)pyridin-3-amine
SMILESCOc1ccccc1-c1ncccc1N.COc1ccccc1-c1ncccc1Nc1c(C)c(-c2ccccn2)nc2cc(F)cc(F)c12.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Cl
InChIInChI=1S/C27H20F2N4O.C15H9ClF2N2.C12H12N2O/c1-16-25(20-9-5-6-12-30-20)33-22-15-17(28)14-19(29)24(22)26(16)32-21-10-7-13-31-27(21)18-8-3-4-11-23(18)34-2;1-8-14(16)13-10(18)6-9(17)7-12(13)20-15(8)11-4-2-3-5-19-11;1-15-11-7-3-2-5-9(11)12-10(13)6-4-8-14-12/h3-15H,1-2H3,(H,32,33);2-7H,1H3;2-8H,13H2,1H3
InChIKeyZCAKNTSDMLRMKD-UHFFFAOYSA-N
XLogP13.57
TPSA133.85 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.42
LogP ≤ 513.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Related Compounds

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
4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylphenyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylaniline
CID 162120593
4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;2-(3,6-dihydro-2H-1,4-oxazin-4-ium-4-yl)-5-(6-methoxy-3-pyridinyl)pyridin-4-amine;N-[2-(3,6-dihydro-2H-1,4-oxazin-4-ium-4-yl)-5-(6-methoxy-3-pyridinyl)-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 158461043
N-(3-bromophenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 59631259
4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;ethyl 4-amino-2-morpholin-4-ylpyrimidine-5-carboxylate;ethyl 4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-2-morpholin-4-ylpyrimidine-5-carboxylate
CID 159107214
4-chloro-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
CID 157054036
5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyrimidin-5-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine
CID 66632301
N-[2-(3-ethylazetidin-1-yl)-5-(5-methoxy-3-pyridinyl)-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 123146776
5,7-difluoro-3-methyl-N-(2-morpholin-4-ylpyrimidin-4-yl)-2-pyridin-2-ylquinolin-4-amine
CID 56591659
3-N-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-2-N-(3-methoxypropyl)-2-N-methyl-5-morpholin-4-ylpyridine-2,3-diamine
CID 50906989
5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 91489758
N-[5-(1,1-dihydroxythian-4-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 89485351

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[2-(2-methoxyphenyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(2-methoxyphenyl)pyridin-3-amine?
The IUPAC name of 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[2-(2-methoxyphenyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(2-methoxyphenyl)pyridin-3-amine (CID 162078548) is 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[2-(2-methoxyphenyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(2-methoxyphenyl)pyridin-3-amine.
What is the SMILES notation for 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[2-(2-methoxyphenyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(2-methoxyphenyl)pyridin-3-amine?
The canonical SMILES for 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[2-(2-methoxyphenyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(2-methoxyphenyl)pyridin-3-amine is COc1ccccc1-c1ncccc1N.COc1ccccc1-c1ncccc1Nc1c(C)c(-c2ccccn2)nc2cc(F)cc(F)c12.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Cl.
What is the InChIKey of 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[2-(2-methoxyphenyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(2-methoxyphenyl)pyridin-3-amine?
The InChIKey is ZCAKNTSDMLRMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F2N4O.C15H9ClF2N2.C12H12N2O/c1-16-25(20-9-5-6-12-30-20)33-22-15-17(28)14-19(29)24(22)26(16)32-21-10-7-13-31-27(21)18-8-3-4-11-23(18)34-2;1-8-14(16)13-10(18)6-9(17)7-12(13)20-15(8)11-4-2-3-5-19-11;1-15-11-7-3-2-5-9(11)12-10(13)6-4-8-14-12/h3-15H,1-2H3,(H,32,33);2-7H,1H3;2-8H,13H2,1H3.
What are the key properties of 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[2-(2-methoxyphenyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(2-methoxyphenyl)pyridin-3-amine?
4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[2-(2-methoxyphenyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(2-methoxyphenyl)pyridin-3-amine has a molecular weight of 945.42 g/mol, XLogP of 13.57, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[2-(2-methoxyphenyl)-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(2-methoxyphenyl)pyridin-3-amine is sourced from PubChem (CID 162078548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).