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

C19H22F2N2O — CID 121382711

IUPAC7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline
SMILESCOc1cc(-c2cc3c(cc2C(F)F)N(C(C)C)CCC3)ccn1
InChIInChI=1S/C19H22F2N2O/c1-12(2)23-8-4-5-14-9-15(16(19(20)21)11-17(14)23)13-6-7-22-18(10-13)24-3/h6-7,9-12,19H,4-5,8H2,1-3H3
InChIKeyMZMJIZXWQYGSOI-UHFFFAOYSA-N
MW332.39 g/mol
LogP4.86
Rot. Bonds4

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

7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline (PubChem CID 121382711) has the molecular formula C19H22F2N2O and a molecular weight of 332.39 g/mol. Its IUPAC name is 7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline
PubChem CID121382711
Molecular FormulaC19H22F2N2O
Molecular Weight332.39 g/mol
Exact Mass332.17
IUPAC Name7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline
SMILESCOc1cc(-c2cc3c(cc2C(F)F)N(C(C)C)CCC3)ccn1
InChIInChI=1S/C19H22F2N2O/c1-12(2)23-8-4-5-14-9-15(16(19(20)21)11-17(14)23)13-6-7-22-18(10-13)24-3/h6-7,9-12,19H,4-5,8H2,1-3H3
InChIKeyMZMJIZXWQYGSOI-UHFFFAOYSA-N
XLogP4.86
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline?
The IUPAC name of 7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline (CID 121382711) is 7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline is COc1cc(-c2cc3c(cc2C(F)F)N(C(C)C)CCC3)ccn1.
What is the InChIKey of 7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline?
The InChIKey is MZMJIZXWQYGSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O/c1-12(2)23-8-4-5-14-9-15(16(19(20)21)11-17(14)23)13-6-7-22-18(10-13)24-3/h6-7,9-12,19H,4-5,8H2,1-3H3.
What are the key properties of 7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline?
7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline has a molecular weight of 332.39 g/mol, XLogP of 4.86, 4 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-propan-2-yl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 121382711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).