1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide

C20H19F3N2O3 — CID 86777202

IUPAC1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESNC(=O)c1cccc2c1CCCN2C(=O)CCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)28-14-9-6-13(7-10-14)8-11-18(26)25-12-2-4-15-16(19(24)27)3-1-5-17(15)25/h1,3,5-7,9-10H,2,4,8,11-12H2,(H2,24,27)
InChIKeyFKNVCOGEGZYKFY-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.60
Rot. Bonds5

About 1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide

1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide (PubChem CID 86777202) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is 1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide.

Molecular Properties

Compound Name1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide
PubChem CID86777202
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESNC(=O)c1cccc2c1CCCN2C(=O)CCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)28-14-9-6-13(7-10-14)8-11-18(26)25-12-2-4-15-16(19(24)27)3-1-5-17(15)25/h1,3,5-7,9-10H,2,4,8,11-12H2,(H2,24,27)
InChIKeyFKNVCOGEGZYKFY-UHFFFAOYSA-N
XLogP3.60
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide with MolForge

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Related Compounds

1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide
CID 86998468
1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691713
1-[2-(cyclopropylmethoxy)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide
CID 78884754
1-[2-(2-methylpropylsulfonyl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide
CID 86998450
1-(2-fluoro-4-methoxybenzoyl)-3,4-dihydro-2H-quinoline-5-carboxamide
CID 78884609
3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanamide
CID 155345859
(2R)-4-[3-[4-(trifluoromethoxy)phenyl]propanoyl]morpholine-2-carboxamide
CID 95174211
1-[3-(1-aminoethyl)piperidin-1-yl]-3-[4-(trifluoromethoxy)phenyl]propan-1-one;hydrochloride
CID 119595712
4-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid
CID 119251700
1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-[4-(trifluoromethoxy)phenyl]propan-1-one;dihydrochloride
CID 118599221
1-[2-(4-methoxyphenyl)sulfanylpropanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide
CID 87025187
1-(4,6-difluoro-2,3-dihydroindol-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 112834091

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
The IUPAC name of 1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide (CID 86777202) is 1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide.
What is the SMILES notation for 1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
The canonical SMILES for 1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide is NC(=O)c1cccc2c1CCCN2C(=O)CCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
The InChIKey is FKNVCOGEGZYKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c21-20(22,23)28-14-9-6-13(7-10-14)8-11-18(26)25-12-2-4-15-16(19(24)27)3-1-5-17(15)25/h1,3,5-7,9-10H,2,4,8,11-12H2,(H2,24,27).
What are the key properties of 1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide has a molecular weight of 392.38 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide is sourced from PubChem (CID 86777202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).