QVENPQQUNGLDQE-UHFFFAOYSA-N

C₂₄H₁₆F₃N₅O — CID 155561313

About QVENPQQUNGLDQE-UHFFFAOYSA-N

QVENPQQUNGLDQE-UHFFFAOYSA-N (PubChem CID 155561313) has the molecular formula C₂₄H₁₆F₃N₅O and a molecular weight of 447.42 g/mol. Its IUPAC name is 9-[(6-amino-2-pyridinyl)amino]-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one.

Molecular Properties

• Compound Name: QVENPQQUNGLDQE-UHFFFAOYSA-N
• PubChem CID: 155561313
• Molecular Formula: C₂₄H₁₆F₃N₅O
• Molecular Weight: 447.42 g/mol
• Exact Mass: 447.13
• IUPAC Name: 9-[(6-amino-2-pyridinyl)amino]-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
• SMILES: Nc1cccc(Nc2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)n1
• InChI: InChI=1S/C24H16F3N5O/c25-24(26,27)15-3-1-4-17(11-15)32-22(33)10-7-14-13-29-19-9-8-16(12-18(19)23(14)32)30-21-6-2-5-20(28)31-21/h1-13H,(H3,28,30,31)
• InChIKey: QVENPQQUNGLDQE-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 85.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.42
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of QVENPQQUNGLDQE-UHFFFAOYSA-N?

The IUPAC name of QVENPQQUNGLDQE-UHFFFAOYSA-N (CID 155561313) is 9-[(6-amino-2-pyridinyl)amino]-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one.

What is the SMILES notation for QVENPQQUNGLDQE-UHFFFAOYSA-N?

The canonical SMILES for QVENPQQUNGLDQE-UHFFFAOYSA-N is Nc1cccc(Nc2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)n1.

What is the InChIKey of QVENPQQUNGLDQE-UHFFFAOYSA-N?

The InChIKey is QVENPQQUNGLDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N5O/c25-24(26,27)15-3-1-4-17(11-15)32-22(33)10-7-14-13-29-19-9-8-16(12-18(19)23(14)32)30-21-6-2-5-20(28)31-21/h1-13H,(H3,28,30,31).

What are the key properties of QVENPQQUNGLDQE-UHFFFAOYSA-N?

QVENPQQUNGLDQE-UHFFFAOYSA-N has a molecular weight of 447.42 g/mol, XLogP of 5.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for QVENPQQUNGLDQE-UHFFFAOYSA-N is sourced from PubChem (CID 155561313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155561313 — identifiers, structure, computed properties (public domain)

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