2-[3-[3-[3-methoxy-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline

C24H19F3N4O — CID 58546808

IUPAC2-[3-[3-[3-methoxy-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCOc1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc(C(F)(F)F)c1
InChIInChI=1S/C24H19F3N4O/c1-32-19-11-16(10-18(12-19)24(25,26)27)22-23(29-9-8-28-22)17-13-31(14-17)21-7-6-15-4-2-3-5-20(15)30-21/h2-12,17H,13-14H2,1H3
InChIKeyDHGSOPWKJRYKIC-UHFFFAOYSA-N
MW436.44 g/mol
LogP5.32
Rot. Bonds4

About 2-[3-[3-[3-methoxy-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline

2-[3-[3-[3-methoxy-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline (PubChem CID 58546808) has the molecular formula C24H19F3N4O and a molecular weight of 436.44 g/mol. Its IUPAC name is 2-[3-[3-[3-methoxy-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-[3-[3-methoxy-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline
PubChem CID58546808
Molecular FormulaC24H19F3N4O
Molecular Weight436.44 g/mol
Exact Mass436.15
IUPAC Name2-[3-[3-[3-methoxy-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCOc1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc(C(F)(F)F)c1
InChIInChI=1S/C24H19F3N4O/c1-32-19-11-16(10-18(12-19)24(25,26)27)22-23(29-9-8-28-22)17-13-31(14-17)21-7-6-15-4-2-3-5-20(15)30-21/h2-12,17H,13-14H2,1H3
InChIKeyDHGSOPWKJRYKIC-UHFFFAOYSA-N
XLogP5.32
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.44
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-Methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol
CID 25113181
2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine
CID 134611709
N2-(3-methoxyphenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 9902671
N2-(4-methoxyphenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 9967928
N1-(7-(3-methoxyphenyl)-1,6-naphthyridin-5-yl)propane-1,3-diamine
CID 10236578
5-(3-Aminopropylamino)-7-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridine
CID 10309119
8-methoxy-2-methyl-1-(2-[4-(4-methylpyridin-2-yl)piperazin-1-yl]ethyl}-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline
CID 10386517
2-(4-methoxy-phenyl)-1-{2-[4-(4-methylpyridin-2-yl)piperazin-1-yl]ethyl}-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline
CID 10389831
4-Quinazolinamine, N-(6-methoxy-3-pyridinyl)-N,2-dimethyl-
CID 11529244
N4-(quinolin-3-yl)-N2-(3-(trifluoromethoxy)phenyl)pyrimidine-2,4-diamine
CID 20826947
4-(6-Methoxy-1,2,3,4-tetrahydro-1-quinolyl)quinazoline
CID 117988849
1-(7-benzyl-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)-6-methoxy-3,4-dihydro-2H-quinoline
CID 118416727

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3-methoxy-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline?
The IUPAC name of 2-[3-[3-[3-methoxy-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline (CID 58546808) is 2-[3-[3-[3-methoxy-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-[3-[3-methoxy-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-[3-[3-methoxy-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline is COc1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-[3-[3-methoxy-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline?
The InChIKey is DHGSOPWKJRYKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O/c1-32-19-11-16(10-18(12-19)24(25,26)27)22-23(29-9-8-28-22)17-13-31(14-17)21-7-6-15-4-2-3-5-20(15)30-21/h2-12,17H,13-14H2,1H3.
What are the key properties of 2-[3-[3-[3-methoxy-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline?
2-[3-[3-[3-methoxy-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline has a molecular weight of 436.44 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[3-methoxy-5-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]quinoline is sourced from PubChem (CID 58546808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).