7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline

C17H18F2N2O — CID 121385834

IUPAC7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline
SMILESCOc1cc(-c2cc3c(cc2C(F)F)N(C)CCC3)ccn1
InChIInChI=1S/C17H18F2N2O/c1-21-7-3-4-12-8-13(14(17(18)19)10-15(12)21)11-5-6-20-16(9-11)22-2/h5-6,8-10,17H,3-4,7H2,1-2H3
InChIKeyTVMUTRNJSRGWSS-UHFFFAOYSA-N
MW304.34 g/mol
LogP4.08
Rot. Bonds3

About 7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline

7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline (PubChem CID 121385834) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is 7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline
PubChem CID121385834
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC Name7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline
SMILESCOc1cc(-c2cc3c(cc2C(F)F)N(C)CCC3)ccn1
InChIInChI=1S/C17H18F2N2O/c1-21-7-3-4-12-8-13(14(17(18)19)10-15(12)21)11-5-6-20-16(9-11)22-2/h5-6,8-10,17H,3-4,7H2,1-2H3
InChIKeyTVMUTRNJSRGWSS-UHFFFAOYSA-N
XLogP4.08
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline with MolForge

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Related Compounds

9-(6-Methoxypyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 70228788
4-[[4-[4-(2-Methoxy-3-pyridyl)-5,7-dimethyl-6-quinolyl]phenyl]methyl]morpholine
CID 126593959
(5Z)-9-fluoro-2,2,4-trimethyl-5-(pyridin-4-ylmethylidene)-1H-chromeno[3,4-f]quinoline
CID 10949008
(5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methyl-4-pyridinyl)methylidene]-1H-chromeno[3,4-f]quinoline
CID 44354006
N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
CID 162663684
5-ethyl-4-methyl-8-(pyridin-3-ylmethoxy)-6H-phenanthridine
CID 145982704
US9085531, 6-methoxy-pyridin-3-yl
CID 118796717
N-ethyl-N-methyl-2-pyrido[3,4-g]quinolin-3-yloxyethanamine
CID 44302506
5-Methyl-2-[4-(trifluoromethoxy)phenyl]phenanthridin-5-ium chloride
CID 145963070
N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-4-ylmethanamine
CID 162644975
N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine
CID 162667364
[2-Fluoro-2',5'-dimethyl-4'-[6-(3-methyl-2-butenyloxy)pyridin-3-yl]biphenyl-4-yl]-(3-methyl-2-butenyl)amine
CID 9868105

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline (CID 121385834) is 7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline is COc1cc(-c2cc3c(cc2C(F)F)N(C)CCC3)ccn1.
What is the InChIKey of 7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is TVMUTRNJSRGWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O/c1-21-7-3-4-12-8-13(14(17(18)19)10-15(12)21)11-5-6-20-16(9-11)22-2/h5-6,8-10,17H,3-4,7H2,1-2H3.
What are the key properties of 7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline?
7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 304.34 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 121385834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).