1-ethyl-6,7,8-trifluoro-N-methyl-4-oxo-N-pentan-3-ylquinoline-3-carboxamide

C18H21F3N2O2 — CID 56873052

IUPAC1-ethyl-6,7,8-trifluoro-N-methyl-4-oxo-N-pentan-3-ylquinoline-3-carboxamide
SMILESCCC(CC)N(C)C(=O)c1cn(CC)c2c(F)c(F)c(F)cc2c1=O
InChIInChI=1S/C18H21F3N2O2/c1-5-10(6-2)22(4)18(25)12-9-23(7-3)16-11(17(12)24)8-13(19)14(20)15(16)21/h8-10H,5-7H2,1-4H3
InChIKeyMZQPYOVKWHVFBV-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.70
Rot. Bonds5

About 1-ethyl-6,7,8-trifluoro-N-methyl-4-oxo-N-pentan-3-ylquinoline-3-carboxamide

1-ethyl-6,7,8-trifluoro-N-methyl-4-oxo-N-pentan-3-ylquinoline-3-carboxamide (PubChem CID 56873052) has the molecular formula C18H21F3N2O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 1-ethyl-6,7,8-trifluoro-N-methyl-4-oxo-N-pentan-3-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-6,7,8-trifluoro-N-methyl-4-oxo-N-pentan-3-ylquinoline-3-carboxamide
PubChem CID56873052
Molecular FormulaC18H21F3N2O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC Name1-ethyl-6,7,8-trifluoro-N-methyl-4-oxo-N-pentan-3-ylquinoline-3-carboxamide
SMILESCCC(CC)N(C)C(=O)c1cn(CC)c2c(F)c(F)c(F)cc2c1=O
InChIInChI=1S/C18H21F3N2O2/c1-5-10(6-2)22(4)18(25)12-9-23(7-3)16-11(17(12)24)8-13(19)14(20)15(16)21/h8-10H,5-7H2,1-4H3
InChIKeyMZQPYOVKWHVFBV-UHFFFAOYSA-N
XLogP3.70
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-ethyl-6,7,8-trifluoro-N-methyl-4-oxo-N-pentan-3-ylquinoline-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(1-ethyl-6,7,8-trifluoro-4-oxoquinolin-3-yl) propanoate
CID 175393794
ethyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 14099128
difluoroboranyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 57131028
7-ethoxy-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 171060805
cyclopropyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 68801881
1-ethyl-8-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxamide
CID 90373252
1-butan-2-yl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylic acid
CID 82252176
7-[3-[(1S)-1-aminopropyl]pyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 10429791
ethyl 6,7,8-trifluoro-1-[hydroxymethyl(methyl)amino]-4-oxoquinoline-3-carboxylate
CID 11067470
N-butan-2-yl-1-ethyl-6-fluoro-N-methyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 166276124
1-ethyl-6,8-difluoro-7-[[(2S)-2-hydroxypropyl]amino]-4-oxoquinoline-3-carboxylate
CID 6950069
1-ethyl-6,8-difluoro-7-(nitromethyl)-4-oxoquinoline-3-carboxylic acid
CID 102466718

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6,7,8-trifluoro-N-methyl-4-oxo-N-pentan-3-ylquinoline-3-carboxamide?
The IUPAC name of 1-ethyl-6,7,8-trifluoro-N-methyl-4-oxo-N-pentan-3-ylquinoline-3-carboxamide (CID 56873052) is 1-ethyl-6,7,8-trifluoro-N-methyl-4-oxo-N-pentan-3-ylquinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-6,7,8-trifluoro-N-methyl-4-oxo-N-pentan-3-ylquinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-6,7,8-trifluoro-N-methyl-4-oxo-N-pentan-3-ylquinoline-3-carboxamide is CCC(CC)N(C)C(=O)c1cn(CC)c2c(F)c(F)c(F)cc2c1=O.
What is the InChIKey of 1-ethyl-6,7,8-trifluoro-N-methyl-4-oxo-N-pentan-3-ylquinoline-3-carboxamide?
The InChIKey is MZQPYOVKWHVFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O2/c1-5-10(6-2)22(4)18(25)12-9-23(7-3)16-11(17(12)24)8-13(19)14(20)15(16)21/h8-10H,5-7H2,1-4H3.
What are the key properties of 1-ethyl-6,7,8-trifluoro-N-methyl-4-oxo-N-pentan-3-ylquinoline-3-carboxamide?
1-ethyl-6,7,8-trifluoro-N-methyl-4-oxo-N-pentan-3-ylquinoline-3-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6,7,8-trifluoro-N-methyl-4-oxo-N-pentan-3-ylquinoline-3-carboxamide is sourced from PubChem (CID 56873052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).