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

C22H14ClF3N2O — CID 67607513

IUPAC7-chloro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]quinoline
SMILESCc1cc2ccc(Cl)cc2nc1-c1ccc(-c2ccc(OC(F)(F)F)cc2)nc1
InChIInChI=1S/C22H14ClF3N2O/c1-13-10-15-2-6-17(23)11-20(15)28-21(13)16-5-9-19(27-12-16)14-3-7-18(8-4-14)29-22(24,25)26/h2-12H,1H3
InChIKeyYGUZGEUBLRLCIX-UHFFFAOYSA-N
MW414.81 g/mol
LogP6.82
Rot. Bonds3

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

7-chloro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]quinoline (PubChem CID 67607513) has the molecular formula C22H14ClF3N2O and a molecular weight of 414.81 g/mol. Its IUPAC name is 7-chloro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]quinoline.

Molecular Properties

Compound Name7-chloro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]quinoline
PubChem CID67607513
Molecular FormulaC22H14ClF3N2O
Molecular Weight414.81 g/mol
Exact Mass414.07
IUPAC Name7-chloro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]quinoline
SMILESCc1cc2ccc(Cl)cc2nc1-c1ccc(-c2ccc(OC(F)(F)F)cc2)nc1
InChIInChI=1S/C22H14ClF3N2O/c1-13-10-15-2-6-17(23)11-20(15)28-21(13)16-5-9-19(27-12-16)14-3-7-18(8-4-14)29-22(24,25)26/h2-12H,1H3
InChIKeyYGUZGEUBLRLCIX-UHFFFAOYSA-N
XLogP6.82
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.81
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-chloro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]quinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]quinoline?
The IUPAC name of 7-chloro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]quinoline (CID 67607513) is 7-chloro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]quinoline.
What is the SMILES notation for 7-chloro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]quinoline?
The canonical SMILES for 7-chloro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]quinoline is Cc1cc2ccc(Cl)cc2nc1-c1ccc(-c2ccc(OC(F)(F)F)cc2)nc1.
What is the InChIKey of 7-chloro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]quinoline?
The InChIKey is YGUZGEUBLRLCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF3N2O/c1-13-10-15-2-6-17(23)11-20(15)28-21(13)16-5-9-19(27-12-16)14-3-7-18(8-4-14)29-22(24,25)26/h2-12H,1H3.
What are the key properties of 7-chloro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]quinoline?
7-chloro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]quinoline has a molecular weight of 414.81 g/mol, XLogP of 6.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]quinoline is sourced from PubChem (CID 67607513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).