(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylquinoline-4-carboxylate

C24H16N4O3 — CID 2491783

IUPAC(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylquinoline-4-carboxylate
SMILESO=C(OCn1nnc2ccccc2c1=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C24H16N4O3/c29-23-18-11-5-7-13-21(18)26-27-28(23)15-31-24(30)19-14-22(16-8-2-1-3-9-16)25-20-12-6-4-10-17(19)20/h1-14H,15H2
InChIKeyFCWWGEFVHNVTMA-UHFFFAOYSA-N
MW408.42 g/mol
LogP3.82
Rot. Bonds4

About (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylquinoline-4-carboxylate

(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylquinoline-4-carboxylate (PubChem CID 2491783) has the molecular formula C24H16N4O3 and a molecular weight of 408.42 g/mol. Its IUPAC name is (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Name(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylquinoline-4-carboxylate
PubChem CID2491783
Molecular FormulaC24H16N4O3
Molecular Weight408.42 g/mol
Exact Mass408.12
IUPAC Name(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylquinoline-4-carboxylate
SMILESO=C(OCn1nnc2ccccc2c1=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C24H16N4O3/c29-23-18-11-5-7-13-21(18)26-27-28(23)15-31-24(30)19-14-22(16-8-2-1-3-9-16)25-20-12-6-4-10-17(19)20/h1-14H,15H2
InChIKeyFCWWGEFVHNVTMA-UHFFFAOYSA-N
XLogP3.82
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylquinoline-4-carboxylate?
The IUPAC name of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylquinoline-4-carboxylate (CID 2491783) is (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylquinoline-4-carboxylate.
What is the SMILES notation for (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylquinoline-4-carboxylate?
The canonical SMILES for (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylquinoline-4-carboxylate is O=C(OCn1nnc2ccccc2c1=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylquinoline-4-carboxylate?
The InChIKey is FCWWGEFVHNVTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4O3/c29-23-18-11-5-7-13-21(18)26-27-28(23)15-31-24(30)19-14-22(16-8-2-1-3-9-16)25-20-12-6-4-10-17(19)20/h1-14H,15H2.
What are the key properties of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylquinoline-4-carboxylate?
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylquinoline-4-carboxylate has a molecular weight of 408.42 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 2491783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).