9-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

C26H14F3N5O2 — CID 73438482

IUPAC9-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c2c1cnc1ccc(-c3cnc4ccccc4c3)nc12
InChIInChI=1S/C26H14F3N5O2/c27-26(28,29)16-5-3-6-17(11-16)34-23-18(24(35)33-25(34)36)13-31-21-9-8-20(32-22(21)23)15-10-14-4-1-2-7-19(14)30-12-15/h1-13H,(H,33,35,36)
InChIKeyVCXOKJJWIZDPTF-UHFFFAOYSA-N
MW485.43 g/mol
LogP4.86
Rot. Bonds2

About 9-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

9-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (PubChem CID 73438482) has the molecular formula C26H14F3N5O2 and a molecular weight of 485.43 g/mol. Its IUPAC name is 9-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.

Molecular Properties

Compound Name9-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
PubChem CID73438482
Molecular FormulaC26H14F3N5O2
Molecular Weight485.43 g/mol
Exact Mass485.11
IUPAC Name9-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c2c1cnc1ccc(-c3cnc4ccccc4c3)nc12
InChIInChI=1S/C26H14F3N5O2/c27-26(28,29)16-5-3-6-17(11-16)34-23-18(24(35)33-25(34)36)13-31-21-9-8-20(32-22(21)23)15-10-14-4-1-2-7-19(14)30-12-15/h1-13H,(H,33,35,36)
InChIKeyVCXOKJJWIZDPTF-UHFFFAOYSA-N
XLogP4.86
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 9-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The IUPAC name of 9-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (CID 73438482) is 9-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.
What is the SMILES notation for 9-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The canonical SMILES for 9-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is O=c1[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c2c1cnc1ccc(-c3cnc4ccccc4c3)nc12.
What is the InChIKey of 9-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The InChIKey is VCXOKJJWIZDPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14F3N5O2/c27-26(28,29)16-5-3-6-17(11-16)34-23-18(24(35)33-25(34)36)13-31-21-9-8-20(32-22(21)23)15-10-14-4-1-2-7-19(14)30-12-15/h1-13H,(H,33,35,36).
What are the key properties of 9-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
9-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione has a molecular weight of 485.43 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is sourced from PubChem (CID 73438482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).