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

C22H28F2N2O — CID 145090364

IUPAC7-(difluoromethyl)-1-hexan-3-yl-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinoline
SMILESCCCC(CC)N1CCCc2cc(-c3ccnc(OC)c3)c(C(F)F)cc21
InChIInChI=1S/C22H28F2N2O/c1-4-7-17(5-2)26-11-6-8-16-12-18(19(22(23)24)14-20(16)26)15-9-10-25-21(13-15)27-3/h9-10,12-14,17,22H,4-8,11H2,1-3H3
InChIKeyDRSSMHHUEFMGIQ-UHFFFAOYSA-N
MW374.48 g/mol
LogP6.03
Rot. Bonds7

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

7-(difluoromethyl)-1-hexan-3-yl-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinoline (PubChem CID 145090364) has the molecular formula C22H28F2N2O and a molecular weight of 374.48 g/mol. Its IUPAC name is 7-(difluoromethyl)-1-hexan-3-yl-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name7-(difluoromethyl)-1-hexan-3-yl-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinoline
PubChem CID145090364
Molecular FormulaC22H28F2N2O
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name7-(difluoromethyl)-1-hexan-3-yl-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinoline
SMILESCCCC(CC)N1CCCc2cc(-c3ccnc(OC)c3)c(C(F)F)cc21
InChIInChI=1S/C22H28F2N2O/c1-4-7-17(5-2)26-11-6-8-16-12-18(19(22(23)24)14-20(16)26)15-9-10-25-21(13-15)27-3/h9-10,12-14,17,22H,4-8,11H2,1-3H3
InChIKeyDRSSMHHUEFMGIQ-UHFFFAOYSA-N
XLogP6.03
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(difluoromethyl)-1-hexan-3-yl-6-(2-methoxy-4-pyridinyl)-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-[(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
3-(4-methoxyphenyl)-N,N-dimethyl-4-(trifluoromethyl)isoquinolin-7-amine
CID 11681742
2-Methoxy-5-[4-(trifluoromethyl)phenyl]pyridine
CID 70699571
2-methoxy-5-[(1S)-3,3,3-trifluoro-1-(4-phenylphenyl)propyl]pyridine
CID 134955917

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-1-hexan-3-yl-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 7-(difluoromethyl)-1-hexan-3-yl-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinoline (CID 145090364) is 7-(difluoromethyl)-1-hexan-3-yl-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 7-(difluoromethyl)-1-hexan-3-yl-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 7-(difluoromethyl)-1-hexan-3-yl-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinoline is CCCC(CC)N1CCCc2cc(-c3ccnc(OC)c3)c(C(F)F)cc21.
What is the InChIKey of 7-(difluoromethyl)-1-hexan-3-yl-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinoline?
The InChIKey is DRSSMHHUEFMGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N2O/c1-4-7-17(5-2)26-11-6-8-16-12-18(19(22(23)24)14-20(16)26)15-9-10-25-21(13-15)27-3/h9-10,12-14,17,22H,4-8,11H2,1-3H3.
What are the key properties of 7-(difluoromethyl)-1-hexan-3-yl-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinoline?
7-(difluoromethyl)-1-hexan-3-yl-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinoline has a molecular weight of 374.48 g/mol, XLogP of 6.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-1-hexan-3-yl-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 145090364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).