3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide

C20H17F3N2O2 — CID 110423215

IUPAC3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCc1ccc2cc(CCC(=O)Nc3ccccc3C(F)(F)F)c(=O)[nH]c2c1
InChIInChI=1S/C20H17F3N2O2/c1-12-6-7-13-11-14(19(27)25-17(13)10-12)8-9-18(26)24-16-5-3-2-4-15(16)20(21,22)23/h2-7,10-11H,8-9H2,1H3,(H,24,26)(H,25,27)
InChIKeyMQPVXACPORKVNE-UHFFFAOYSA-N
MW374.36 g/mol
LogP4.43
Rot. Bonds4

About 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide

3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 110423215) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID110423215
Molecular FormulaC20H17F3N2O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC Name3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCc1ccc2cc(CCC(=O)Nc3ccccc3C(F)(F)F)c(=O)[nH]c2c1
InChIInChI=1S/C20H17F3N2O2/c1-12-6-7-13-11-14(19(27)25-17(13)10-12)8-9-18(26)24-16-5-3-2-4-15(16)20(21,22)23/h2-7,10-11H,8-9H2,1H3,(H,24,26)(H,25,27)
InChIKeyMQPVXACPORKVNE-UHFFFAOYSA-N
XLogP4.43
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dimethylphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
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3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-ylphenyl)propanamide
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3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
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N-[2-(dimethylamino)-2-phenylethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110620872
3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(4-methylphenyl)propanamide
CID 110331250
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-yloxyphenyl)propanamide
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3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(3-methylphenyl)propanamide
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ethyl 4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
CID 110426633
N-(3-fluorophenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331277
N-[3-(diethylamino)propyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174850
N-[2-(4-methoxyphenyl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331176
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide (CID 110423215) is 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide is Cc1ccc2cc(CCC(=O)Nc3ccccc3C(F)(F)F)c(=O)[nH]c2c1.
What is the InChIKey of 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is MQPVXACPORKVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2/c1-12-6-7-13-11-14(19(27)25-17(13)10-12)8-9-18(26)24-16-5-3-2-4-15(16)20(21,22)23/h2-7,10-11H,8-9H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 374.36 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 110423215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).