7-(difluoromethyl)-1-(2-methylbutyl)-6-(1-methylpyrazol-3-yl)-3,4-dihydro-2H-quinoline

C19H25F2N3 — CID 162575763

IUPAC7-(difluoromethyl)-1-(2-methylbutyl)-6-(1-methylpyrazol-3-yl)-3,4-dihydro-2H-quinoline
SMILESCCC(C)CN1CCCc2cc(-c3ccn(C)n3)c(C(F)F)cc21
InChIInChI=1S/C19H25F2N3/c1-4-13(2)12-24-8-5-6-14-10-15(17-7-9-23(3)22-17)16(19(20)21)11-18(14)24/h7,9-11,13,19H,4-6,8,12H2,1-3H3
InChIKeyLQZJYJUZAHQRFM-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.82
Rot. Bonds5

About 7-(difluoromethyl)-1-(2-methylbutyl)-6-(1-methylpyrazol-3-yl)-3,4-dihydro-2H-quinoline

7-(difluoromethyl)-1-(2-methylbutyl)-6-(1-methylpyrazol-3-yl)-3,4-dihydro-2H-quinoline (PubChem CID 162575763) has the molecular formula C19H25F2N3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 7-(difluoromethyl)-1-(2-methylbutyl)-6-(1-methylpyrazol-3-yl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name7-(difluoromethyl)-1-(2-methylbutyl)-6-(1-methylpyrazol-3-yl)-3,4-dihydro-2H-quinoline
PubChem CID162575763
Molecular FormulaC19H25F2N3
Molecular Weight333.43 g/mol
Exact Mass333.20
IUPAC Name7-(difluoromethyl)-1-(2-methylbutyl)-6-(1-methylpyrazol-3-yl)-3,4-dihydro-2H-quinoline
SMILESCCC(C)CN1CCCc2cc(-c3ccn(C)n3)c(C(F)F)cc21
InChIInChI=1S/C19H25F2N3/c1-4-13(2)12-24-8-5-6-14-10-15(17-7-9-23(3)22-17)16(19(20)21)11-18(14)24/h7,9-11,13,19H,4-6,8,12H2,1-3H3
InChIKeyLQZJYJUZAHQRFM-UHFFFAOYSA-N
XLogP4.82
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-1-(2-methylbutyl)-6-(1-methylpyrazol-3-yl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 7-(difluoromethyl)-1-(2-methylbutyl)-6-(1-methylpyrazol-3-yl)-3,4-dihydro-2H-quinoline (CID 162575763) is 7-(difluoromethyl)-1-(2-methylbutyl)-6-(1-methylpyrazol-3-yl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 7-(difluoromethyl)-1-(2-methylbutyl)-6-(1-methylpyrazol-3-yl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 7-(difluoromethyl)-1-(2-methylbutyl)-6-(1-methylpyrazol-3-yl)-3,4-dihydro-2H-quinoline is CCC(C)CN1CCCc2cc(-c3ccn(C)n3)c(C(F)F)cc21.
What is the InChIKey of 7-(difluoromethyl)-1-(2-methylbutyl)-6-(1-methylpyrazol-3-yl)-3,4-dihydro-2H-quinoline?
The InChIKey is LQZJYJUZAHQRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3/c1-4-13(2)12-24-8-5-6-14-10-15(17-7-9-23(3)22-17)16(19(20)21)11-18(14)24/h7,9-11,13,19H,4-6,8,12H2,1-3H3.
What are the key properties of 7-(difluoromethyl)-1-(2-methylbutyl)-6-(1-methylpyrazol-3-yl)-3,4-dihydro-2H-quinoline?
7-(difluoromethyl)-1-(2-methylbutyl)-6-(1-methylpyrazol-3-yl)-3,4-dihydro-2H-quinoline has a molecular weight of 333.43 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-1-(2-methylbutyl)-6-(1-methylpyrazol-3-yl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 162575763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).