6-[ethyl(furan-3-ylmethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one

C17H15F3N2O2 — CID 23648058

IUPAC6-[ethyl(furan-3-ylmethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCCN(Cc1ccoc1)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1
InChIInChI=1S/C17H15F3N2O2/c1-2-22(9-11-5-6-24-10-11)12-3-4-15-13(7-12)14(17(18,19)20)8-16(23)21-15/h3-8,10H,2,9H2,1H3,(H,21,23)
InChIKeyJVVRHHHFMUUTLW-UHFFFAOYSA-N
MW336.31 g/mol
LogP4.17
Rot. Bonds4

About 6-[ethyl(furan-3-ylmethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one

6-[ethyl(furan-3-ylmethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 23648058) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is 6-[ethyl(furan-3-ylmethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[ethyl(furan-3-ylmethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID23648058
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name6-[ethyl(furan-3-ylmethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCCN(Cc1ccoc1)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1
InChIInChI=1S/C17H15F3N2O2/c1-2-22(9-11-5-6-24-10-11)12-3-4-15-13(7-12)14(17(18,19)20)8-16(23)21-15/h3-8,10H,2,9H2,1H3,(H,21,23)
InChIKeyJVVRHHHFMUUTLW-UHFFFAOYSA-N
XLogP4.17
TPSA49.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(furan-3-ylmethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-[ethyl(furan-3-ylmethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one (CID 23648058) is 6-[ethyl(furan-3-ylmethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-[ethyl(furan-3-ylmethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-[ethyl(furan-3-ylmethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one is CCN(Cc1ccoc1)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1.
What is the InChIKey of 6-[ethyl(furan-3-ylmethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is JVVRHHHFMUUTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-2-22(9-11-5-6-24-10-11)12-3-4-15-13(7-12)14(17(18,19)20)8-16(23)21-15/h3-8,10H,2,9H2,1H3,(H,21,23).
What are the key properties of 6-[ethyl(furan-3-ylmethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one?
6-[ethyl(furan-3-ylmethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 336.31 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(furan-3-ylmethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 23648058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).