N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

C21H20N6O3 — CID 71700635

IUPACN-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCC(C)Cn1cnc2ccc(NC(=O)Cn3nnc4ccccc4c3=O)cc2c1=O
InChIInChI=1S/C21H20N6O3/c1-13(2)10-26-12-22-17-8-7-14(9-16(17)20(26)29)23-19(28)11-27-21(30)15-5-3-4-6-18(15)24-25-27/h3-9,12-13H,10-11H2,1-2H3,(H,23,28)
InChIKeyPBDADHHRMLCGPD-UHFFFAOYSA-N
MW404.43 g/mol
LogP1.80
Rot. Bonds5

About N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (PubChem CID 71700635) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
PubChem CID71700635
Molecular FormulaC21H20N6O3
Molecular Weight404.43 g/mol
Exact Mass404.16
IUPAC NameN-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCC(C)Cn1cnc2ccc(NC(=O)Cn3nnc4ccccc4c3=O)cc2c1=O
InChIInChI=1S/C21H20N6O3/c1-13(2)10-26-12-22-17-8-7-14(9-16(17)20(26)29)23-19(28)11-27-21(30)15-5-3-4-6-18(15)24-25-27/h3-9,12-13H,10-11H2,1-2H3,(H,23,28)
InChIKeyPBDADHHRMLCGPD-UHFFFAOYSA-N
XLogP1.80
TPSA111.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide with MolForge

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Related Compounds

N-(9,10-dioxoanthracen-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 38934566
3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 33026865
N-(4-butan-2-ylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 78766557
N-(3-chloro-4-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2550571
N-(4-tert-butylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 7919313
N-(4-anilinophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 46554459
N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
N-(3-bromophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2695518
2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42119047
N-(3,5-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 27055170
N-(2-methylpropyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2110452
N-(5-acetamido-2-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 55691997

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The IUPAC name of N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (CID 71700635) is N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.
What is the SMILES notation for N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The canonical SMILES for N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is CC(C)Cn1cnc2ccc(NC(=O)Cn3nnc4ccccc4c3=O)cc2c1=O.
What is the InChIKey of N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The InChIKey is PBDADHHRMLCGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c1-13(2)10-26-12-22-17-8-7-14(9-16(17)20(26)29)23-19(28)11-27-21(30)15-5-3-4-6-18(15)24-25-27/h3-9,12-13H,10-11H2,1-2H3,(H,23,28).
What are the key properties of N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide has a molecular weight of 404.43 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is sourced from PubChem (CID 71700635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).