N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]-4-(trifluoromethyl)benzamide

C26H17F3N4O2 — CID 58168094

IUPACN-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H17F3N4O2/c27-26(28,29)16-7-5-15(6-8-16)24(34)32-18-11-9-17(10-12-18)31-21-13-14-30-23-22(21)19-3-1-2-4-20(19)25(35)33-23/h1-14H,(H,32,34)(H2,30,31,33,35)
InChIKeyYZSQQCSTOBVGNF-UHFFFAOYSA-N
MW474.44 g/mol
LogP6.09
Rot. Bonds4

About N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]-4-(trifluoromethyl)benzamide

N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 58168094) has the molecular formula C26H17F3N4O2 and a molecular weight of 474.44 g/mol. Its IUPAC name is N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]-4-(trifluoromethyl)benzamide
PubChem CID58168094
Molecular FormulaC26H17F3N4O2
Molecular Weight474.44 g/mol
Exact Mass474.13
IUPAC NameN-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H17F3N4O2/c27-26(28,29)16-7-5-15(6-8-16)24(34)32-18-11-9-17(10-12-18)31-21-13-14-30-23-22(21)19-3-1-2-4-20(19)25(35)33-23/h1-14H,(H,32,34)(H2,30,31,33,35)
InChIKeyYZSQQCSTOBVGNF-UHFFFAOYSA-N
XLogP6.09
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.44
LogP ≤ 56.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]-4-(trifluoromethyl)benzamide (CID 58168094) is N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]-4-(trifluoromethyl)benzamide is O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is YZSQQCSTOBVGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F3N4O2/c27-26(28,29)16-7-5-15(6-8-16)24(34)32-18-11-9-17(10-12-18)31-21-13-14-30-23-22(21)19-3-1-2-4-20(19)25(35)33-23/h1-14H,(H,32,34)(H2,30,31,33,35).
What are the key properties of N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]-4-(trifluoromethyl)benzamide?
N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 474.44 g/mol, XLogP of 6.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 58168094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).