2,3,4-trifluoro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide

C19H15F3N2O3 — CID 110325968

IUPAC2,3,4-trifluoro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
SMILESCOc1ccc2cc(CCNC(=O)c3ccc(F)c(F)c3F)c(=O)[nH]c2c1
InChIInChI=1S/C19H15F3N2O3/c1-27-12-3-2-10-8-11(18(25)24-15(10)9-12)6-7-23-19(26)13-4-5-14(20)17(22)16(13)21/h2-5,8-9H,6-7H2,1H3,(H,23,26)(H,24,25)
InChIKeyPCBSYSISZZHGLH-UHFFFAOYSA-N
MW376.33 g/mol
LogP2.93
Rot. Bonds5

About 2,3,4-trifluoro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide

2,3,4-trifluoro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide (PubChem CID 110325968) has the molecular formula C19H15F3N2O3 and a molecular weight of 376.33 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
PubChem CID110325968
Molecular FormulaC19H15F3N2O3
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC Name2,3,4-trifluoro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
SMILESCOc1ccc2cc(CCNC(=O)c3ccc(F)c(F)c3F)c(=O)[nH]c2c1
InChIInChI=1S/C19H15F3N2O3/c1-27-12-3-2-10-8-11(18(25)24-15(10)9-12)6-7-23-19(26)13-4-5-14(20)17(22)16(13)21/h2-5,8-9H,6-7H2,1H3,(H,23,26)(H,24,25)
InChIKeyPCBSYSISZZHGLH-UHFFFAOYSA-N
XLogP2.93
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 52.93
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-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 4258688
2-chloro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 7136774
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-propylpentanamide
CID 4079737
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110609180
2,3,4-trifluoro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086126
2-chloro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-nitrobenzamide
CID 7136772
2,3,4-trifluoro-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110415717
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110662836
N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-fluorobenzamide
CID 110326115
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzamide
CID 5050311
2,4-dichloro-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 4147135
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110619629

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide (CID 110325968) is 2,3,4-trifluoro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide is COc1ccc2cc(CCNC(=O)c3ccc(F)c(F)c3F)c(=O)[nH]c2c1.
What is the InChIKey of 2,3,4-trifluoro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide?
The InChIKey is PCBSYSISZZHGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3/c1-27-12-3-2-10-8-11(18(25)24-15(10)9-12)6-7-23-19(26)13-4-5-14(20)17(22)16(13)21/h2-5,8-9H,6-7H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 2,3,4-trifluoro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide?
2,3,4-trifluoro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide has a molecular weight of 376.33 g/mol, XLogP of 2.93, 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-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide is sourced from PubChem (CID 110325968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).