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

C14H17F3N2O2 — CID 67613224

IUPAC2-(propylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid
SMILESCCCNC1CCc2cc(C(F)(F)F)ccc2N1C(=O)O
InChIInChI=1S/C14H17F3N2O2/c1-2-7-18-12-6-3-9-8-10(14(15,16)17)4-5-11(9)19(12)13(20)21/h4-5,8,12,18H,2-3,6-7H2,1H3,(H,20,21)
InChIKeyASHZUVJTFLEXDK-UHFFFAOYSA-N
MW302.30 g/mol
LogP3.46
Rot. Bonds3

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

2-(propylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid (PubChem CID 67613224) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-(propylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid.

Molecular Properties

Compound Name2-(propylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid
PubChem CID67613224
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name2-(propylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid
SMILESCCCNC1CCc2cc(C(F)(F)F)ccc2N1C(=O)O
InChIInChI=1S/C14H17F3N2O2/c1-2-7-18-12-6-3-9-8-10(14(15,16)17)4-5-11(9)19(12)13(20)21/h4-5,8,12,18H,2-3,6-7H2,1H3,(H,20,21)
InChIKeyASHZUVJTFLEXDK-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid?
The IUPAC name of 2-(propylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid (CID 67613224) is 2-(propylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid.
What is the SMILES notation for 2-(propylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid?
The canonical SMILES for 2-(propylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid is CCCNC1CCc2cc(C(F)(F)F)ccc2N1C(=O)O.
What is the InChIKey of 2-(propylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid?
The InChIKey is ASHZUVJTFLEXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-2-7-18-12-6-3-9-8-10(14(15,16)17)4-5-11(9)19(12)13(20)21/h4-5,8,12,18H,2-3,6-7H2,1H3,(H,20,21).
What are the key properties of 2-(propylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid?
2-(propylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid has a molecular weight of 302.30 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid is sourced from PubChem (CID 67613224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).