N-(1-cyclopropyl-6,7-difluoro-8-methyl-4-oxoquinolin-5-yl)-2,2,2-trifluoroacetamide

C15H11F5N2O2 — CID 151749659

IUPACN-(1-cyclopropyl-6,7-difluoro-8-methyl-4-oxoquinolin-5-yl)-2,2,2-trifluoroacetamide
SMILESCc1c(F)c(F)c(NC(=O)C(F)(F)F)c2c(=O)ccn(C3CC3)c12
InChIInChI=1S/C15H11F5N2O2/c1-6-10(16)11(17)12(21-14(24)15(18,19)20)9-8(23)4-5-22(13(6)9)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,21,24)
InChIKeyROGGLEFUMSRVKJ-UHFFFAOYSA-N
MW346.26 g/mol
LogP3.42
Rot. Bonds2

About N-(1-cyclopropyl-6,7-difluoro-8-methyl-4-oxoquinolin-5-yl)-2,2,2-trifluoroacetamide

N-(1-cyclopropyl-6,7-difluoro-8-methyl-4-oxoquinolin-5-yl)-2,2,2-trifluoroacetamide (PubChem CID 151749659) has the molecular formula C15H11F5N2O2 and a molecular weight of 346.26 g/mol. Its IUPAC name is N-(1-cyclopropyl-6,7-difluoro-8-methyl-4-oxoquinolin-5-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-6,7-difluoro-8-methyl-4-oxoquinolin-5-yl)-2,2,2-trifluoroacetamide
PubChem CID151749659
Molecular FormulaC15H11F5N2O2
Molecular Weight346.26 g/mol
Exact Mass346.07
IUPAC NameN-(1-cyclopropyl-6,7-difluoro-8-methyl-4-oxoquinolin-5-yl)-2,2,2-trifluoroacetamide
SMILESCc1c(F)c(F)c(NC(=O)C(F)(F)F)c2c(=O)ccn(C3CC3)c12
InChIInChI=1S/C15H11F5N2O2/c1-6-10(16)11(17)12(21-14(24)15(18,19)20)9-8(23)4-5-22(13(6)9)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,21,24)
InChIKeyROGGLEFUMSRVKJ-UHFFFAOYSA-N
XLogP3.42
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-cyclopropyl-6,7-difluoro-8-methyl-4-oxoquinolin-5-yl)-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-6,7-difluoro-8-methyl-4-oxoquinolin-5-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1-cyclopropyl-6,7-difluoro-8-methyl-4-oxoquinolin-5-yl)-2,2,2-trifluoroacetamide (CID 151749659) is N-(1-cyclopropyl-6,7-difluoro-8-methyl-4-oxoquinolin-5-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1-cyclopropyl-6,7-difluoro-8-methyl-4-oxoquinolin-5-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1-cyclopropyl-6,7-difluoro-8-methyl-4-oxoquinolin-5-yl)-2,2,2-trifluoroacetamide is Cc1c(F)c(F)c(NC(=O)C(F)(F)F)c2c(=O)ccn(C3CC3)c12.
What is the InChIKey of N-(1-cyclopropyl-6,7-difluoro-8-methyl-4-oxoquinolin-5-yl)-2,2,2-trifluoroacetamide?
The InChIKey is ROGGLEFUMSRVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F5N2O2/c1-6-10(16)11(17)12(21-14(24)15(18,19)20)9-8(23)4-5-22(13(6)9)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,21,24).
What are the key properties of N-(1-cyclopropyl-6,7-difluoro-8-methyl-4-oxoquinolin-5-yl)-2,2,2-trifluoroacetamide?
N-(1-cyclopropyl-6,7-difluoro-8-methyl-4-oxoquinolin-5-yl)-2,2,2-trifluoroacetamide has a molecular weight of 346.26 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-6,7-difluoro-8-methyl-4-oxoquinolin-5-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 151749659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).