7-(difluoromethoxy)-1-hexan-2-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline

C20H27F2N3O — CID 162575743

IUPAC7-(difluoromethoxy)-1-hexan-2-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
SMILESCCCCC(C)N1CCCc2cc(-c3cnn(C)c3)c(OC(F)F)cc21
InChIInChI=1S/C20H27F2N3O/c1-4-5-7-14(2)25-9-6-8-15-10-17(16-12-23-24(3)13-16)19(11-18(15)25)26-20(21)22/h10-14,20H,4-9H2,1-3H3
InChIKeyNGBQKPKEEZTEDY-UHFFFAOYSA-N
MW363.45 g/mol
LogP5.02
Rot. Bonds7

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

7-(difluoromethoxy)-1-hexan-2-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline (PubChem CID 162575743) has the molecular formula C20H27F2N3O and a molecular weight of 363.45 g/mol. Its IUPAC name is 7-(difluoromethoxy)-1-hexan-2-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name7-(difluoromethoxy)-1-hexan-2-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
PubChem CID162575743
Molecular FormulaC20H27F2N3O
Molecular Weight363.45 g/mol
Exact Mass363.21
IUPAC Name7-(difluoromethoxy)-1-hexan-2-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
SMILESCCCCC(C)N1CCCc2cc(-c3cnn(C)c3)c(OC(F)F)cc21
InChIInChI=1S/C20H27F2N3O/c1-4-5-7-14(2)25-9-6-8-15-10-17(16-12-23-24(3)13-16)19(11-18(15)25)26-20(21)22/h10-14,20H,4-9H2,1-3H3
InChIKeyNGBQKPKEEZTEDY-UHFFFAOYSA-N
XLogP5.02
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.45
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethoxy)-1-hexan-2-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 7-(difluoromethoxy)-1-hexan-2-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline (CID 162575743) is 7-(difluoromethoxy)-1-hexan-2-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 7-(difluoromethoxy)-1-hexan-2-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 7-(difluoromethoxy)-1-hexan-2-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline is CCCCC(C)N1CCCc2cc(-c3cnn(C)c3)c(OC(F)F)cc21.
What is the InChIKey of 7-(difluoromethoxy)-1-hexan-2-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline?
The InChIKey is NGBQKPKEEZTEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N3O/c1-4-5-7-14(2)25-9-6-8-15-10-17(16-12-23-24(3)13-16)19(11-18(15)25)26-20(21)22/h10-14,20H,4-9H2,1-3H3.
What are the key properties of 7-(difluoromethoxy)-1-hexan-2-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline?
7-(difluoromethoxy)-1-hexan-2-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline has a molecular weight of 363.45 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethoxy)-1-hexan-2-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 162575743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).