2,3,4-trifluoro-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide

C20H17F3N2O3 — CID 110415717

IUPAC2,3,4-trifluoro-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
SMILESCOc1ccc(C)c2cc(CCNC(=O)c3ccc(F)c(F)c3F)c(=O)[nH]c12
InChIInChI=1S/C20H17F3N2O3/c1-10-3-6-15(28-2)18-13(10)9-11(19(26)25-18)7-8-24-20(27)12-4-5-14(21)17(23)16(12)22/h3-6,9H,7-8H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyZWIZDTNDGCGBPN-UHFFFAOYSA-N
MW390.36 g/mol
LogP3.23
Rot. Bonds5

About 2,3,4-trifluoro-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide

2,3,4-trifluoro-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide (PubChem CID 110415717) has the molecular formula C20H17F3N2O3 and a molecular weight of 390.36 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
PubChem CID110415717
Molecular FormulaC20H17F3N2O3
Molecular Weight390.36 g/mol
Exact Mass390.12
IUPAC Name2,3,4-trifluoro-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
SMILESCOc1ccc(C)c2cc(CCNC(=O)c3ccc(F)c(F)c3F)c(=O)[nH]c12
InChIInChI=1S/C20H17F3N2O3/c1-10-3-6-15(28-2)18-13(10)9-11(19(26)25-18)7-8-24-20(27)12-4-5-14(21)17(23)16(12)22/h3-6,9H,7-8H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyZWIZDTNDGCGBPN-UHFFFAOYSA-N
XLogP3.23
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide
CID 110602465
2-(3,4-dimethylphenoxy)-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 110414437
2,3,4-trifluoro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110325968
N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 110602477
N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110609277
4-bromo-N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 3497039
N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 5070810
2-chloro-N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 7136765
2,3,4-trifluoro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086126
N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 5197848
N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-diethoxybenzamide
CID 5223437
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
CID 108540873

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide (CID 110415717) is 2,3,4-trifluoro-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide is COc1ccc(C)c2cc(CCNC(=O)c3ccc(F)c(F)c3F)c(=O)[nH]c12.
What is the InChIKey of 2,3,4-trifluoro-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide?
The InChIKey is ZWIZDTNDGCGBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O3/c1-10-3-6-15(28-2)18-13(10)9-11(19(26)25-18)7-8-24-20(27)12-4-5-14(21)17(23)16(12)22/h3-6,9H,7-8H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 2,3,4-trifluoro-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide?
2,3,4-trifluoro-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide has a molecular weight of 390.36 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide is sourced from PubChem (CID 110415717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).