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

C18H20F2N2O — CID 130440150

IUPAC7-(difluoromethyl)-1-ethyl-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinoline
SMILESCCN1CCCc2cc(-c3ccnc(OC)c3)c(C(F)F)cc21
InChIInChI=1S/C18H20F2N2O/c1-3-22-8-4-5-13-9-14(15(18(19)20)11-16(13)22)12-6-7-21-17(10-12)23-2/h6-7,9-11,18H,3-5,8H2,1-2H3
InChIKeyUVDHHOOHMJIDNZ-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.47
Rot. Bonds4

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

7-(difluoromethyl)-1-ethyl-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinoline (PubChem CID 130440150) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is 7-(difluoromethyl)-1-ethyl-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name7-(difluoromethyl)-1-ethyl-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinoline
PubChem CID130440150
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name7-(difluoromethyl)-1-ethyl-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinoline
SMILESCCN1CCCc2cc(-c3ccnc(OC)c3)c(C(F)F)cc21
InChIInChI=1S/C18H20F2N2O/c1-3-22-8-4-5-13-9-14(15(18(19)20)11-16(13)22)12-6-7-21-17(10-12)23-2/h6-7,9-11,18H,3-5,8H2,1-2H3
InChIKeyUVDHHOOHMJIDNZ-UHFFFAOYSA-N
XLogP4.47
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-1-ethyl-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 7-(difluoromethyl)-1-ethyl-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinoline (CID 130440150) is 7-(difluoromethyl)-1-ethyl-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 7-(difluoromethyl)-1-ethyl-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 7-(difluoromethyl)-1-ethyl-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinoline is CCN1CCCc2cc(-c3ccnc(OC)c3)c(C(F)F)cc21.
What is the InChIKey of 7-(difluoromethyl)-1-ethyl-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinoline?
The InChIKey is UVDHHOOHMJIDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O/c1-3-22-8-4-5-13-9-14(15(18(19)20)11-16(13)22)12-6-7-21-17(10-12)23-2/h6-7,9-11,18H,3-5,8H2,1-2H3.
What are the key properties of 7-(difluoromethyl)-1-ethyl-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinoline?
7-(difluoromethyl)-1-ethyl-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinoline has a molecular weight of 318.37 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-1-ethyl-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 130440150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).