4-(propylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid

C14H17F3N2O2 — CID 22735345

IUPAC4-(propylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid
SMILESCCCNC1CCN(C(=O)O)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C14H17F3N2O2/c1-2-6-18-11-5-7-19(13(20)21)12-4-3-9(8-10(11)12)14(15,16)17/h3-4,8,11,18H,2,5-7H2,1H3,(H,20,21)
InChIKeyCIAUBPJFDFLSHE-UHFFFAOYSA-N
MW302.30 g/mol
LogP3.63
Rot. Bonds3

About 4-(propylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid

4-(propylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid (PubChem CID 22735345) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 4-(propylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid.

Molecular Properties

Compound Name4-(propylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid
PubChem CID22735345
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name4-(propylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid
SMILESCCCNC1CCN(C(=O)O)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C14H17F3N2O2/c1-2-6-18-11-5-7-19(13(20)21)12-4-3-9(8-10(11)12)14(15,16)17/h3-4,8,11,18H,2,5-7H2,1H3,(H,20,21)
InChIKeyCIAUBPJFDFLSHE-UHFFFAOYSA-N
XLogP3.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethylsulfonyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid
CID 22735297
1-[4-[[(Z)-2-amino-2-phenylethenyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 166139308
propan-2-yl 4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 143173742
4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid
CID 90113838
(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid
CID 18335599
tert-butyl 4-ethylsulfinyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 22735287
2-cyclobutyl-1-[4-(propylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 103161311
1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine
CID 63035987
1-[2-cyano-4-(trifluoromethyl)phenyl]-N-propylpiperidine-4-carboxamide
CID 133373440
(4S)-4-methyl-3,4-dihydro-2H-quinoline-1,6-dicarboxylic acid
CID 135388233
(4R)-1-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 6926181
1-methyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepine-5-carboxylic acid
CID 82625986

Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid?
The IUPAC name of 4-(propylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid (CID 22735345) is 4-(propylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid.
What is the SMILES notation for 4-(propylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid?
The canonical SMILES for 4-(propylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid is CCCNC1CCN(C(=O)O)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 4-(propylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid?
The InChIKey is CIAUBPJFDFLSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-2-6-18-11-5-7-19(13(20)21)12-4-3-9(8-10(11)12)14(15,16)17/h3-4,8,11,18H,2,5-7H2,1H3,(H,20,21).
What are the key properties of 4-(propylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid?
4-(propylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid has a molecular weight of 302.30 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid is sourced from PubChem (CID 22735345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).