2-[[7-chloro-3-hydroxy-6-(2,2,2-trifluoroethoxy)quinoline-2-carbonyl]amino]acetic acid

C14H10ClF3N2O5 — CID 19692257

IUPAC2-[[7-chloro-3-hydroxy-6-(2,2,2-trifluoroethoxy)quinoline-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1nc2cc(Cl)c(OCC(F)(F)F)cc2cc1O
InChIInChI=1S/C14H10ClF3N2O5/c15-7-3-8-6(2-10(7)25-5-14(16,17)18)1-9(21)12(20-8)13(24)19-4-11(22)23/h1-3,21H,4-5H2,(H,19,24)(H,22,23)
InChIKeyRELQTLPNMSOGRU-UHFFFAOYSA-N
MW378.69 g/mol
LogP2.35
Rot. Bonds5

About 2-[[7-chloro-3-hydroxy-6-(2,2,2-trifluoroethoxy)quinoline-2-carbonyl]amino]acetic acid

2-[[7-chloro-3-hydroxy-6-(2,2,2-trifluoroethoxy)quinoline-2-carbonyl]amino]acetic acid (PubChem CID 19692257) has the molecular formula C14H10ClF3N2O5 and a molecular weight of 378.69 g/mol. Its IUPAC name is 2-[[7-chloro-3-hydroxy-6-(2,2,2-trifluoroethoxy)quinoline-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[7-chloro-3-hydroxy-6-(2,2,2-trifluoroethoxy)quinoline-2-carbonyl]amino]acetic acid
PubChem CID19692257
Molecular FormulaC14H10ClF3N2O5
Molecular Weight378.69 g/mol
Exact Mass378.02
IUPAC Name2-[[7-chloro-3-hydroxy-6-(2,2,2-trifluoroethoxy)quinoline-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1nc2cc(Cl)c(OCC(F)(F)F)cc2cc1O
InChIInChI=1S/C14H10ClF3N2O5/c15-7-3-8-6(2-10(7)25-5-14(16,17)18)1-9(21)12(20-8)13(24)19-4-11(22)23/h1-3,21H,4-5H2,(H,19,24)(H,22,23)
InChIKeyRELQTLPNMSOGRU-UHFFFAOYSA-N
XLogP2.35
TPSA108.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.69
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-chloro-3-hydroxy-6-(2,2,2-trifluoroethoxy)quinoline-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[7-chloro-3-hydroxy-6-(2,2,2-trifluoroethoxy)quinoline-2-carbonyl]amino]acetic acid (CID 19692257) is 2-[[7-chloro-3-hydroxy-6-(2,2,2-trifluoroethoxy)quinoline-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[7-chloro-3-hydroxy-6-(2,2,2-trifluoroethoxy)quinoline-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[7-chloro-3-hydroxy-6-(2,2,2-trifluoroethoxy)quinoline-2-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1nc2cc(Cl)c(OCC(F)(F)F)cc2cc1O.
What is the InChIKey of 2-[[7-chloro-3-hydroxy-6-(2,2,2-trifluoroethoxy)quinoline-2-carbonyl]amino]acetic acid?
The InChIKey is RELQTLPNMSOGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O5/c15-7-3-8-6(2-10(7)25-5-14(16,17)18)1-9(21)12(20-8)13(24)19-4-11(22)23/h1-3,21H,4-5H2,(H,19,24)(H,22,23).
What are the key properties of 2-[[7-chloro-3-hydroxy-6-(2,2,2-trifluoroethoxy)quinoline-2-carbonyl]amino]acetic acid?
2-[[7-chloro-3-hydroxy-6-(2,2,2-trifluoroethoxy)quinoline-2-carbonyl]amino]acetic acid has a molecular weight of 378.69 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-chloro-3-hydroxy-6-(2,2,2-trifluoroethoxy)quinoline-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 19692257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).