7-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]quinoline

C23H17F3N2O2 — CID 123800766

IUPAC7-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]quinoline
SMILESCOc1ccc2cc(C)c(-c3ccc(-c4ccc(OC(F)(F)F)cc4)nc3)nc2c1
InChIInChI=1S/C23H17F3N2O2/c1-14-11-16-5-9-19(29-2)12-21(16)28-22(14)17-6-10-20(27-13-17)15-3-7-18(8-4-15)30-23(24,25)26/h3-13H,1-2H3
InChIKeyJCPLWQHOGANPKU-UHFFFAOYSA-N
MW410.40 g/mol
LogP6.18
Rot. Bonds4

About 7-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]quinoline

7-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]quinoline (PubChem CID 123800766) has the molecular formula C23H17F3N2O2 and a molecular weight of 410.40 g/mol. Its IUPAC name is 7-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]quinoline.

Molecular Properties

Compound Name7-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]quinoline
PubChem CID123800766
Molecular FormulaC23H17F3N2O2
Molecular Weight410.40 g/mol
Exact Mass410.12
IUPAC Name7-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]quinoline
SMILESCOc1ccc2cc(C)c(-c3ccc(-c4ccc(OC(F)(F)F)cc4)nc3)nc2c1
InChIInChI=1S/C23H17F3N2O2/c1-14-11-16-5-9-19(29-2)12-21(16)28-22(14)17-6-10-20(27-13-17)15-3-7-18(8-4-15)30-23(24,25)26/h3-13H,1-2H3
InChIKeyJCPLWQHOGANPKU-UHFFFAOYSA-N
XLogP6.18
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.40
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 3075610
9-Acridinamine, 1,2,3,4-tetrahydro-N-heptyl-6-methoxy-
CID 3075611
5-Fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)Quinoline
CID 12004142
SB 714786
CID 10287730
4-(7-Methoxyquinolin-4-yl)-2-methylphenol
CID 135567383
2-(4-Methoxyphenyl)quinoline
CID 1481967
7-Benzyloxyquinoline
CID 3035604
1-(7-Methoxyquinolin-4-yl)-3-[6-(trifluoromethyl)pyridin-2-yl]urea
CID 49830684
4-Chloro-7-methoxyquinoline
CID 10607829
4-Methoxyquinoline
CID 521938
5-Fluoro-4-methoxy-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2-(trifluoromethyl)quinoline
CID 12004141
5,7-Dimethoxy-3-(4-pyridinyl)quinoline
CID 3139

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]quinoline?
The IUPAC name of 7-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]quinoline (CID 123800766) is 7-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]quinoline.
What is the SMILES notation for 7-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]quinoline?
The canonical SMILES for 7-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]quinoline is COc1ccc2cc(C)c(-c3ccc(-c4ccc(OC(F)(F)F)cc4)nc3)nc2c1.
What is the InChIKey of 7-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]quinoline?
The InChIKey is JCPLWQHOGANPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O2/c1-14-11-16-5-9-19(29-2)12-21(16)28-22(14)17-6-10-20(27-13-17)15-3-7-18(8-4-15)30-23(24,25)26/h3-13H,1-2H3.
What are the key properties of 7-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]quinoline?
7-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]quinoline has a molecular weight of 410.40 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]quinoline is sourced from PubChem (CID 123800766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).