7-methoxy-2,2-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinoline

C19H20F3NO — CID 86735786

IUPAC7-methoxy-2,2-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinoline
SMILESCOc1ccc2c(c1)NC(C)(C)CC2c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H20F3NO/c1-18(2)11-16(12-4-6-13(7-5-12)19(20,21)22)15-9-8-14(24-3)10-17(15)23-18/h4-10,16,23H,11H2,1-3H3
InChIKeyBFFBKPJEPPXUGA-UHFFFAOYSA-N
MW335.37 g/mol
LogP5.44
Rot. Bonds2

About 7-methoxy-2,2-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinoline

7-methoxy-2,2-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinoline (PubChem CID 86735786) has the molecular formula C19H20F3NO and a molecular weight of 335.37 g/mol. Its IUPAC name is 7-methoxy-2,2-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name7-methoxy-2,2-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinoline
PubChem CID86735786
Molecular FormulaC19H20F3NO
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name7-methoxy-2,2-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinoline
SMILESCOc1ccc2c(c1)NC(C)(C)CC2c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H20F3NO/c1-18(2)11-16(12-4-6-13(7-5-12)19(20,21)22)15-9-8-14(24-3)10-17(15)23-18/h4-10,16,23H,11H2,1-3H3
InChIKeyBFFBKPJEPPXUGA-UHFFFAOYSA-N
XLogP5.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.37
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,2-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinoline?
The IUPAC name of 7-methoxy-2,2-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinoline (CID 86735786) is 7-methoxy-2,2-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 7-methoxy-2,2-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinoline?
The canonical SMILES for 7-methoxy-2,2-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinoline is COc1ccc2c(c1)NC(C)(C)CC2c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 7-methoxy-2,2-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinoline?
The InChIKey is BFFBKPJEPPXUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO/c1-18(2)11-16(12-4-6-13(7-5-12)19(20,21)22)15-9-8-14(24-3)10-17(15)23-18/h4-10,16,23H,11H2,1-3H3.
What are the key properties of 7-methoxy-2,2-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinoline?
7-methoxy-2,2-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinoline has a molecular weight of 335.37 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,2-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 86735786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).