4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-oxochromen-6-yl)butanamide

C20H16N4O4 — CID 45495167

IUPAC4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-oxochromen-6-yl)butanamide
SMILESO=C(CCCn1nnc2ccccc2c1=O)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C20H16N4O4/c25-18(21-14-8-9-17-13(12-14)7-10-19(26)28-17)6-3-11-24-20(27)15-4-1-2-5-16(15)22-23-24/h1-2,4-5,7-10,12H,3,6,11H2,(H,21,25)
InChIKeyHPJYACRVNYGWCI-UHFFFAOYSA-N
MW376.37 g/mol
LogP2.32
Rot. Bonds5

About 4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-oxochromen-6-yl)butanamide

4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-oxochromen-6-yl)butanamide (PubChem CID 45495167) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is 4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-oxochromen-6-yl)butanamide.

Molecular Properties

Compound Name4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-oxochromen-6-yl)butanamide
PubChem CID45495167
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC Name4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-oxochromen-6-yl)butanamide
SMILESO=C(CCCn1nnc2ccccc2c1=O)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C20H16N4O4/c25-18(21-14-8-9-17-13(12-14)7-10-19(26)28-17)6-3-11-24-20(27)15-4-1-2-5-16(15)22-23-24/h1-2,4-5,7-10,12H,3,6,11H2,(H,21,25)
InChIKeyHPJYACRVNYGWCI-UHFFFAOYSA-N
XLogP2.32
TPSA107.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)butanamide
CID 42506632
N-(1,3-benzodioxol-5-yl)-6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanamide
CID 4975940
N-[4-(dimethylamino)phenyl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 4909113
N-(5-bromonaphthalen-2-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 146022046
4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylbutanamide
CID 4906393
N-(1H-benzimidazol-2-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 4906819
N-(3,4-dimethoxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 4905024
N-(4-anilinophenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 29265855
N'-hydroxy-N-(2-oxochromen-6-yl)octanediamide
CID 86581290
6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(trifluoromethoxy)phenyl]hexanamide
CID 4909778
N-(2-oxochromen-6-yl)-3-phenylsulfanylpropanamide
CID 55977915
4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoate
CID 7061910

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-oxochromen-6-yl)butanamide?
The IUPAC name of 4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-oxochromen-6-yl)butanamide (CID 45495167) is 4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-oxochromen-6-yl)butanamide.
What is the SMILES notation for 4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-oxochromen-6-yl)butanamide?
The canonical SMILES for 4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-oxochromen-6-yl)butanamide is O=C(CCCn1nnc2ccccc2c1=O)Nc1ccc2oc(=O)ccc2c1.
What is the InChIKey of 4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-oxochromen-6-yl)butanamide?
The InChIKey is HPJYACRVNYGWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c25-18(21-14-8-9-17-13(12-14)7-10-19(26)28-17)6-3-11-24-20(27)15-4-1-2-5-16(15)22-23-24/h1-2,4-5,7-10,12H,3,6,11H2,(H,21,25).
What are the key properties of 4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-oxochromen-6-yl)butanamide?
4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-oxochromen-6-yl)butanamide has a molecular weight of 376.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-oxochromen-6-yl)butanamide is sourced from PubChem (CID 45495167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).