N-(1-cyclopropylethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide

C17H17F3N2O2 — CID 71900831

IUPACN-(1-cyclopropylethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H17F3N2O2/c1-10(11-6-7-11)22(9-17(18,19)20)16(24)13-8-15(23)21-14-5-3-2-4-12(13)14/h2-5,8,10-11H,6-7,9H2,1H3,(H,21,23)
InChIKeyFRGZRWOGOBRURM-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.33
Rot. Bonds4

About N-(1-cyclopropylethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide

N-(1-cyclopropylethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide (PubChem CID 71900831) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide
PubChem CID71900831
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC NameN-(1-cyclopropylethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H17F3N2O2/c1-10(11-6-7-11)22(9-17(18,19)20)16(24)13-8-15(23)21-14-5-3-2-4-12(13)14/h2-5,8,10-11H,6-7,9H2,1H3,(H,21,23)
InChIKeyFRGZRWOGOBRURM-UHFFFAOYSA-N
XLogP3.33
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide (CID 71900831) is N-(1-cyclopropylethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide is CC(C1CC1)N(CC(F)(F)F)C(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-(1-cyclopropylethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide?
The InChIKey is FRGZRWOGOBRURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-10(11-6-7-11)22(9-17(18,19)20)16(24)13-8-15(23)21-14-5-3-2-4-12(13)14/h2-5,8,10-11H,6-7,9H2,1H3,(H,21,23).
What are the key properties of N-(1-cyclopropylethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide?
N-(1-cyclopropylethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide has a molecular weight of 338.33 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide is sourced from PubChem (CID 71900831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).