N-[4-amino-2-(trifluoromethyl)phenyl]-5-hydroxy-4-oxo-1H-quinoline-3-carboxamide

C17H12F3N3O3 — CID 139455131

IUPACN-[4-amino-2-(trifluoromethyl)phenyl]-5-hydroxy-4-oxo-1H-quinoline-3-carboxamide
SMILESNc1ccc(NC(=O)c2c[nH]c3cccc(O)c3c2=O)c(C(F)(F)F)c1
InChIInChI=1S/C17H12F3N3O3/c18-17(19,20)10-6-8(21)4-5-11(10)23-16(26)9-7-22-12-2-1-3-13(24)14(12)15(9)25/h1-7,24H,21H2,(H,22,25)(H,23,26)
InChIKeyLHILTSPFTUPDGW-UHFFFAOYSA-N
MW363.30 g/mol
LogP3.09
Rot. Bonds2

About N-[4-amino-2-(trifluoromethyl)phenyl]-5-hydroxy-4-oxo-1H-quinoline-3-carboxamide

N-[4-amino-2-(trifluoromethyl)phenyl]-5-hydroxy-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 139455131) has the molecular formula C17H12F3N3O3 and a molecular weight of 363.30 g/mol. Its IUPAC name is N-[4-amino-2-(trifluoromethyl)phenyl]-5-hydroxy-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-amino-2-(trifluoromethyl)phenyl]-5-hydroxy-4-oxo-1H-quinoline-3-carboxamide
PubChem CID139455131
Molecular FormulaC17H12F3N3O3
Molecular Weight363.30 g/mol
Exact Mass363.08
IUPAC NameN-[4-amino-2-(trifluoromethyl)phenyl]-5-hydroxy-4-oxo-1H-quinoline-3-carboxamide
SMILESNc1ccc(NC(=O)c2c[nH]c3cccc(O)c3c2=O)c(C(F)(F)F)c1
InChIInChI=1S/C17H12F3N3O3/c18-17(19,20)10-6-8(21)4-5-11(10)23-16(26)9-7-22-12-2-1-3-13(24)14(12)15(9)25/h1-7,24H,21H2,(H,22,25)(H,23,26)
InChIKeyLHILTSPFTUPDGW-UHFFFAOYSA-N
XLogP3.09
TPSA108.21 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 53.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-(trifluoromethyl)phenyl]-5-hydroxy-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[4-amino-2-(trifluoromethyl)phenyl]-5-hydroxy-4-oxo-1H-quinoline-3-carboxamide (CID 139455131) is N-[4-amino-2-(trifluoromethyl)phenyl]-5-hydroxy-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[4-amino-2-(trifluoromethyl)phenyl]-5-hydroxy-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[4-amino-2-(trifluoromethyl)phenyl]-5-hydroxy-4-oxo-1H-quinoline-3-carboxamide is Nc1ccc(NC(=O)c2c[nH]c3cccc(O)c3c2=O)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-amino-2-(trifluoromethyl)phenyl]-5-hydroxy-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is LHILTSPFTUPDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O3/c18-17(19,20)10-6-8(21)4-5-11(10)23-16(26)9-7-22-12-2-1-3-13(24)14(12)15(9)25/h1-7,24H,21H2,(H,22,25)(H,23,26).
What are the key properties of N-[4-amino-2-(trifluoromethyl)phenyl]-5-hydroxy-4-oxo-1H-quinoline-3-carboxamide?
N-[4-amino-2-(trifluoromethyl)phenyl]-5-hydroxy-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 363.30 g/mol, XLogP of 3.09, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-(trifluoromethyl)phenyl]-5-hydroxy-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 139455131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).