N-(3-bromophenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

C21H14BrF2N3 — CID 59631259

IUPACN-(3-bromophenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cccc(Br)c1
InChIInChI=1S/C21H14BrF2N3/c1-12-20(17-7-2-3-8-25-17)27-18-11-14(23)10-16(24)19(18)21(12)26-15-6-4-5-13(22)9-15/h2-11H,1H3,(H,26,27)
InChIKeyIWTBOPOYOVNLHC-UHFFFAOYSA-N
MW426.26 g/mol
LogP6.39
Rot. Bonds3

About N-(3-bromophenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

N-(3-bromophenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 59631259) has the molecular formula C21H14BrF2N3 and a molecular weight of 426.26 g/mol. Its IUPAC name is N-(3-bromophenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID59631259
Molecular FormulaC21H14BrF2N3
Molecular Weight426.26 g/mol
Exact Mass425.03
IUPAC NameN-(3-bromophenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cccc(Br)c1
InChIInChI=1S/C21H14BrF2N3/c1-12-20(17-7-2-3-8-25-17)27-18-11-14(23)10-16(24)19(18)21(12)26-15-6-4-5-13(22)9-15/h2-11H,1H3,(H,26,27)
InChIKeyIWTBOPOYOVNLHC-UHFFFAOYSA-N
XLogP6.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.26
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-difluoro-3-methyl-N-(2-morpholin-4-ylpyrimidin-4-yl)-2-pyridin-2-ylquinolin-4-amine
CID 56591659
5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyrimidin-5-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine
CID 66632301
4-(3-bromophenoxy)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline
CID 141294738
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
N-[2-[3-(difluoromethoxy)phenyl]-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 59631562
4-bromo-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline
CID 66632235
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
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
5,7-difluoro-3-methyl-N-[5-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-2-pyridin-2-ylquinolin-4-amine
CID 66632153
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
4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 66632404
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

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of N-(3-bromophenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 59631259) is N-(3-bromophenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is IWTBOPOYOVNLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrF2N3/c1-12-20(17-7-2-3-8-25-17)27-18-11-14(23)10-16(24)19(18)21(12)26-15-6-4-5-13(22)9-15/h2-11H,1H3,(H,26,27).
What are the key properties of N-(3-bromophenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
N-(3-bromophenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 426.26 g/mol, XLogP of 6.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 59631259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).