3-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]amino]propanoic acid

C19H19F3N2O2 — CID 163236033

IUPAC3-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]amino]propanoic acid
SMILESO=C(O)CCNC1Cc2ccccc2N(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C19H19F3N2O2/c20-19(21,22)14-5-7-16(8-6-14)24-12-15(23-10-9-18(25)26)11-13-3-1-2-4-17(13)24/h1-8,15,23H,9-12H2,(H,25,26)
InChIKeyASDZKNDJBQOXML-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.83
Rot. Bonds5

About 3-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]amino]propanoic acid

3-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]amino]propanoic acid (PubChem CID 163236033) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 3-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]amino]propanoic acid
PubChem CID163236033
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name3-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]amino]propanoic acid
SMILESO=C(O)CCNC1Cc2ccccc2N(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C19H19F3N2O2/c20-19(21,22)14-5-7-16(8-6-14)24-12-15(23-10-9-18(25)26)11-13-3-1-2-4-17(13)24/h1-8,15,23H,9-12H2,(H,25,26)
InChIKeyASDZKNDJBQOXML-UHFFFAOYSA-N
XLogP3.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]amino]propanoic acid?
The IUPAC name of 3-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]amino]propanoic acid (CID 163236033) is 3-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]amino]propanoic acid.
What is the SMILES notation for 3-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]amino]propanoic acid?
The canonical SMILES for 3-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]amino]propanoic acid is O=C(O)CCNC1Cc2ccccc2N(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 3-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]amino]propanoic acid?
The InChIKey is ASDZKNDJBQOXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c20-19(21,22)14-5-7-16(8-6-14)24-12-15(23-10-9-18(25)26)11-13-3-1-2-4-17(13)24/h1-8,15,23H,9-12H2,(H,25,26).
What are the key properties of 3-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]amino]propanoic acid?
3-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]amino]propanoic acid has a molecular weight of 364.37 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]amino]propanoic acid is sourced from PubChem (CID 163236033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).