2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid

C19H16F3NO4 — CID 69401928

IUPAC2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
SMILESCC1CC(C(=O)O)c2ccccc2N1C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H16F3NO4/c1-11-10-15(18(25)26)14-4-2-3-5-16(14)23(11)17(24)12-6-8-13(9-7-12)27-19(20,21)22/h2-9,11,15H,10H2,1H3,(H,25,26)
InChIKeyDWDAWGKWGSTRQZ-UHFFFAOYSA-N
MW379.33 g/mol
LogP4.19
Rot. Bonds3

About 2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid

2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid (PubChem CID 69401928) has the molecular formula C19H16F3NO4 and a molecular weight of 379.33 g/mol. Its IUPAC name is 2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
PubChem CID69401928
Molecular FormulaC19H16F3NO4
Molecular Weight379.33 g/mol
Exact Mass379.10
IUPAC Name2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
SMILESCC1CC(C(=O)O)c2ccccc2N1C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H16F3NO4/c1-11-10-15(18(25)26)14-4-2-3-5-16(14)23(11)17(24)12-6-8-13(9-7-12)27-19(20,21)22/h2-9,11,15H,10H2,1H3,(H,25,26)
InChIKeyDWDAWGKWGSTRQZ-UHFFFAOYSA-N
XLogP4.19
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 69401406
(2S,4R)-1-methoxycarbonyl-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 136585449
[(2S)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 69402619
N-benzyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 69401991
N-(2-cyclopropylethyl)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 90881986
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
CID 585634
[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methoxyphenyl)methanone
CID 1102966
[(2S,4R)-4-amino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone
CID 68923463
(2R,4S)-N-[(2S)-butan-2-yl]-2-methyl-1-[4-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxamide
CID 98730563
(2S,4R)-N-cyclopropyl-N-ethyl-1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 58732818
furan;(2S)-1-[2-(4-methoxyphenyl)acetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 69422396
N-cyclopropyl-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
CID 68923656

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The IUPAC name of 2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid (CID 69401928) is 2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid is CC1CC(C(=O)O)c2ccccc2N1C(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The InChIKey is DWDAWGKWGSTRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO4/c1-11-10-15(18(25)26)14-4-2-3-5-16(14)23(11)17(24)12-6-8-13(9-7-12)27-19(20,21)22/h2-9,11,15H,10H2,1H3,(H,25,26).
What are the key properties of 2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid?
2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid has a molecular weight of 379.33 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid is sourced from PubChem (CID 69401928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).