3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(4-oxoquinazolin-3-yl)propanamide

C18H14N6O3 — CID 134061354

IUPAC3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1nnc2ccccc2c1=O)Nn1cnc2ccccc2c1=O
InChIInChI=1S/C18H14N6O3/c25-16(21-24-11-19-14-7-3-1-5-12(14)18(24)27)9-10-23-17(26)13-6-2-4-8-15(13)20-22-23/h1-8,11H,9-10H2,(H,21,25)
InChIKeyPVNOFCACMMTKLA-UHFFFAOYSA-N
MW362.35 g/mol
LogP0.66
Rot. Bonds4

About 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(4-oxoquinazolin-3-yl)propanamide

3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 134061354) has the molecular formula C18H14N6O3 and a molecular weight of 362.35 g/mol. Its IUPAC name is 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(4-oxoquinazolin-3-yl)propanamide
PubChem CID134061354
Molecular FormulaC18H14N6O3
Molecular Weight362.35 g/mol
Exact Mass362.11
IUPAC Name3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1nnc2ccccc2c1=O)Nn1cnc2ccccc2c1=O
InChIInChI=1S/C18H14N6O3/c25-16(21-24-11-19-14-7-3-1-5-12(14)18(24)27)9-10-23-17(26)13-6-2-4-8-15(13)20-22-23/h1-8,11H,9-10H2,(H,21,25)
InChIKeyPVNOFCACMMTKLA-UHFFFAOYSA-N
XLogP0.66
TPSA111.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 91818526
N-(4-oxoquinazolin-3-yl)pentanamide
CID 27757903
N-(4-anilinophenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 29265855
N-(2-methylphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 39428140
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-oxoquinazolin-3-yl)propanamide
CID 134061353
N-[(2-fluorophenyl)methyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 39430248
2-methyl-N-[2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]ethyl]propanamide
CID 39436419
N-[2-(ethylamino)ethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide;hydrochloride
CID 119505285
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide
CID 119386440
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-phenylsulfanylethyl)propanamide
CID 39444643
N-(4-oxoquinazolin-3-yl)-2-(4-phenylphenyl)acetamide
CID 26181771
(2R)-N,N,4-trimethyl-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]pentanamide
CID 51950558

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(4-oxoquinazolin-3-yl)propanamide (CID 134061354) is 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(4-oxoquinazolin-3-yl)propanamide is O=C(CCn1nnc2ccccc2c1=O)Nn1cnc2ccccc2c1=O.
What is the InChIKey of 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is PVNOFCACMMTKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O3/c25-16(21-24-11-19-14-7-3-1-5-12(14)18(24)27)9-10-23-17(26)13-6-2-4-8-15(13)20-22-23/h1-8,11H,9-10H2,(H,21,25).
What are the key properties of 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(4-oxoquinazolin-3-yl)propanamide?
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 362.35 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 134061354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).