8-cyclopropyloxy-3-(difluoromethyl)-6-propan-2-ylquinoline

C16H17F2NO — CID 156872882

IUPAC8-cyclopropyloxy-3-(difluoromethyl)-6-propan-2-ylquinoline
SMILESCC(C)c1cc(OC2CC2)c2ncc(C(F)F)cc2c1
InChIInChI=1S/C16H17F2NO/c1-9(2)10-5-11-6-12(16(17)18)8-19-15(11)14(7-10)20-13-3-4-13/h5-9,13,16H,3-4H2,1-2H3
InChIKeyJCQRYDMZPSCNOC-UHFFFAOYSA-N
MW277.31 g/mol
LogP4.84
Rot. Bonds4

About 8-cyclopropyloxy-3-(difluoromethyl)-6-propan-2-ylquinoline

8-cyclopropyloxy-3-(difluoromethyl)-6-propan-2-ylquinoline (PubChem CID 156872882) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 8-cyclopropyloxy-3-(difluoromethyl)-6-propan-2-ylquinoline.

Molecular Properties

Compound Name8-cyclopropyloxy-3-(difluoromethyl)-6-propan-2-ylquinoline
PubChem CID156872882
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name8-cyclopropyloxy-3-(difluoromethyl)-6-propan-2-ylquinoline
SMILESCC(C)c1cc(OC2CC2)c2ncc(C(F)F)cc2c1
InChIInChI=1S/C16H17F2NO/c1-9(2)10-5-11-6-12(16(17)18)8-19-15(11)14(7-10)20-13-3-4-13/h5-9,13,16H,3-4H2,1-2H3
InChIKeyJCQRYDMZPSCNOC-UHFFFAOYSA-N
XLogP4.84
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyloxy-3-(difluoromethyl)-6-propan-2-ylquinoline?
The IUPAC name of 8-cyclopropyloxy-3-(difluoromethyl)-6-propan-2-ylquinoline (CID 156872882) is 8-cyclopropyloxy-3-(difluoromethyl)-6-propan-2-ylquinoline.
What is the SMILES notation for 8-cyclopropyloxy-3-(difluoromethyl)-6-propan-2-ylquinoline?
The canonical SMILES for 8-cyclopropyloxy-3-(difluoromethyl)-6-propan-2-ylquinoline is CC(C)c1cc(OC2CC2)c2ncc(C(F)F)cc2c1.
What is the InChIKey of 8-cyclopropyloxy-3-(difluoromethyl)-6-propan-2-ylquinoline?
The InChIKey is JCQRYDMZPSCNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-9(2)10-5-11-6-12(16(17)18)8-19-15(11)14(7-10)20-13-3-4-13/h5-9,13,16H,3-4H2,1-2H3.
What are the key properties of 8-cyclopropyloxy-3-(difluoromethyl)-6-propan-2-ylquinoline?
8-cyclopropyloxy-3-(difluoromethyl)-6-propan-2-ylquinoline has a molecular weight of 277.31 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyloxy-3-(difluoromethyl)-6-propan-2-ylquinoline is sourced from PubChem (CID 156872882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).