ethyl 5,10-dioxo-6-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]pyrido[3,2-g]quinoline-3-carboxylate

C23H14F3N3O5 — CID 11102727

IUPACethyl 5,10-dioxo-6-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]pyrido[3,2-g]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(c1)C(=O)c1c(-c3ccccc3NC(=O)C(F)(F)F)ccnc1C2=O
InChIInChI=1S/C23H14F3N3O5/c1-2-34-21(32)11-9-14-17(28-10-11)20(31)18-16(19(14)30)13(7-8-27-18)12-5-3-4-6-15(12)29-22(33)23(24,25)26/h3-10H,2H2,1H3,(H,29,33)
InChIKeyDXQRWLHHNFKEIY-UHFFFAOYSA-N
MW469.38 g/mol
LogP3.60
Rot. Bonds4

About ethyl 5,10-dioxo-6-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]pyrido[3,2-g]quinoline-3-carboxylate

ethyl 5,10-dioxo-6-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]pyrido[3,2-g]quinoline-3-carboxylate (PubChem CID 11102727) has the molecular formula C23H14F3N3O5 and a molecular weight of 469.38 g/mol. Its IUPAC name is ethyl 5,10-dioxo-6-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]pyrido[3,2-g]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5,10-dioxo-6-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]pyrido[3,2-g]quinoline-3-carboxylate
PubChem CID11102727
Molecular FormulaC23H14F3N3O5
Molecular Weight469.38 g/mol
Exact Mass469.09
IUPAC Nameethyl 5,10-dioxo-6-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]pyrido[3,2-g]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(c1)C(=O)c1c(-c3ccccc3NC(=O)C(F)(F)F)ccnc1C2=O
InChIInChI=1S/C23H14F3N3O5/c1-2-34-21(32)11-9-14-17(28-10-11)20(31)18-16(19(14)30)13(7-8-27-18)12-5-3-4-6-15(12)29-22(33)23(24,25)26/h3-10H,2H2,1H3,(H,29,33)
InChIKeyDXQRWLHHNFKEIY-UHFFFAOYSA-N
XLogP3.60
TPSA115.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 5,10-dioxo-6-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]pyrido[3,2-g]quinoline-3-carboxylate?
The IUPAC name of ethyl 5,10-dioxo-6-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]pyrido[3,2-g]quinoline-3-carboxylate (CID 11102727) is ethyl 5,10-dioxo-6-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]pyrido[3,2-g]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 5,10-dioxo-6-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]pyrido[3,2-g]quinoline-3-carboxylate?
The canonical SMILES for ethyl 5,10-dioxo-6-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]pyrido[3,2-g]quinoline-3-carboxylate is CCOC(=O)c1cnc2c(c1)C(=O)c1c(-c3ccccc3NC(=O)C(F)(F)F)ccnc1C2=O.
What is the InChIKey of ethyl 5,10-dioxo-6-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]pyrido[3,2-g]quinoline-3-carboxylate?
The InChIKey is DXQRWLHHNFKEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3N3O5/c1-2-34-21(32)11-9-14-17(28-10-11)20(31)18-16(19(14)30)13(7-8-27-18)12-5-3-4-6-15(12)29-22(33)23(24,25)26/h3-10H,2H2,1H3,(H,29,33).
What are the key properties of ethyl 5,10-dioxo-6-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]pyrido[3,2-g]quinoline-3-carboxylate?
ethyl 5,10-dioxo-6-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]pyrido[3,2-g]quinoline-3-carboxylate has a molecular weight of 469.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,10-dioxo-6-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]pyrido[3,2-g]quinoline-3-carboxylate is sourced from PubChem (CID 11102727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).