1-methyl-6-(oxolan-2-yl)-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one

C18H20F3NO2 — CID 170587525

IUPAC1-methyl-6-(oxolan-2-yl)-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one
SMILESCC(C)c1c(C(F)(F)F)c2cc(C3CCCO3)ccc2n(C)c1=O
InChIInChI=1S/C18H20F3NO2/c1-10(2)15-16(18(19,20)21)12-9-11(14-5-4-8-24-14)6-7-13(12)22(3)17(15)23/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeyBFEHKIQQJHYJEJ-UHFFFAOYSA-N
MW339.36 g/mol
LogP4.53
Rot. Bonds2

About 1-methyl-6-(oxolan-2-yl)-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one

1-methyl-6-(oxolan-2-yl)-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one (PubChem CID 170587525) has the molecular formula C18H20F3NO2 and a molecular weight of 339.36 g/mol. Its IUPAC name is 1-methyl-6-(oxolan-2-yl)-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-(oxolan-2-yl)-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one
PubChem CID170587525
Molecular FormulaC18H20F3NO2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC Name1-methyl-6-(oxolan-2-yl)-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one
SMILESCC(C)c1c(C(F)(F)F)c2cc(C3CCCO3)ccc2n(C)c1=O
InChIInChI=1S/C18H20F3NO2/c1-10(2)15-16(18(19,20)21)12-9-11(14-5-4-8-24-14)6-7-13(12)22(3)17(15)23/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeyBFEHKIQQJHYJEJ-UHFFFAOYSA-N
XLogP4.53
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(oxolan-2-yl)-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one?
The IUPAC name of 1-methyl-6-(oxolan-2-yl)-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one (CID 170587525) is 1-methyl-6-(oxolan-2-yl)-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one.
What is the SMILES notation for 1-methyl-6-(oxolan-2-yl)-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one?
The canonical SMILES for 1-methyl-6-(oxolan-2-yl)-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one is CC(C)c1c(C(F)(F)F)c2cc(C3CCCO3)ccc2n(C)c1=O.
What is the InChIKey of 1-methyl-6-(oxolan-2-yl)-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one?
The InChIKey is BFEHKIQQJHYJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO2/c1-10(2)15-16(18(19,20)21)12-9-11(14-5-4-8-24-14)6-7-13(12)22(3)17(15)23/h6-7,9-10,14H,4-5,8H2,1-3H3.
What are the key properties of 1-methyl-6-(oxolan-2-yl)-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one?
1-methyl-6-(oxolan-2-yl)-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one has a molecular weight of 339.36 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(oxolan-2-yl)-3-propan-2-yl-4-(trifluoromethyl)quinolin-2-one is sourced from PubChem (CID 170587525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).