1-(benzylamino)-3,4-dihydropyrazino[2,1-b]quinazolin-6-one

C18H16N4O — CID 101433684

IUPAC1-(benzylamino)-3,4-dihydropyrazino[2,1-b]quinazolin-6-one
SMILESO=c1c2ccccc2nc2n1CCN=C2NCc1ccccc1
InChIInChI=1S/C18H16N4O/c23-18-14-8-4-5-9-15(14)21-17-16(19-10-11-22(17)18)20-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,20)
InChIKeySNTFTLFWBLWFMD-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.95
Rot. Bonds2

About 1-(benzylamino)-3,4-dihydropyrazino[2,1-b]quinazolin-6-one

1-(benzylamino)-3,4-dihydropyrazino[2,1-b]quinazolin-6-one (PubChem CID 101433684) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-(benzylamino)-3,4-dihydropyrazino[2,1-b]quinazolin-6-one.

Molecular Properties

Compound Name1-(benzylamino)-3,4-dihydropyrazino[2,1-b]quinazolin-6-one
PubChem CID101433684
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name1-(benzylamino)-3,4-dihydropyrazino[2,1-b]quinazolin-6-one
SMILESO=c1c2ccccc2nc2n1CCN=C2NCc1ccccc1
InChIInChI=1S/C18H16N4O/c23-18-14-8-4-5-9-15(14)21-17-16(19-10-11-22(17)18)20-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,20)
InChIKeySNTFTLFWBLWFMD-UHFFFAOYSA-N
XLogP1.95
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(benzylamino)-3,4-dihydropyrazino[2,1-b]quinazolin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8,9-dihydro-7H-pyrido[2,1-b]quinazoline-6,11-dione
CID 11275922
3-(hydroxymethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CID 604015
3-(benzylamino)-2-(4-fluorophenyl)quinazolin-4-one
CID 3389245
3-amino-4-benzyl-4,5,10,18-tetrazatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,5,12,14,16-hexaen-11-one
CID 3405757
(6Z)-6-[(4-hydroxyphenyl)hydrazinylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one
CID 135747058
(6E)-6-[(4-phenylphenyl)hydrazinylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one
CID 13381237
2-bromo-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one
CID 51360864
N-benzyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
CID 22551039
N-benzyl-3-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)propanamide
CID 50844325
3-[4-[[(2,3-dimethylquinolin-4-yl)amino]methyl]phenyl]-1,3-oxazolidin-2-one
CID 133452908
3,4-dihydro-2H-[1,3]oxazino[2,3-b]quinazolin-6-one
CID 13381483
N-benzyl-2-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 39822353

Frequently Asked Questions

What is the IUPAC name of 1-(benzylamino)-3,4-dihydropyrazino[2,1-b]quinazolin-6-one?
The IUPAC name of 1-(benzylamino)-3,4-dihydropyrazino[2,1-b]quinazolin-6-one (CID 101433684) is 1-(benzylamino)-3,4-dihydropyrazino[2,1-b]quinazolin-6-one.
What is the SMILES notation for 1-(benzylamino)-3,4-dihydropyrazino[2,1-b]quinazolin-6-one?
The canonical SMILES for 1-(benzylamino)-3,4-dihydropyrazino[2,1-b]quinazolin-6-one is O=c1c2ccccc2nc2n1CCN=C2NCc1ccccc1.
What is the InChIKey of 1-(benzylamino)-3,4-dihydropyrazino[2,1-b]quinazolin-6-one?
The InChIKey is SNTFTLFWBLWFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c23-18-14-8-4-5-9-15(14)21-17-16(19-10-11-22(17)18)20-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,20).
What are the key properties of 1-(benzylamino)-3,4-dihydropyrazino[2,1-b]quinazolin-6-one?
1-(benzylamino)-3,4-dihydropyrazino[2,1-b]quinazolin-6-one has a molecular weight of 304.35 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylamino)-3,4-dihydropyrazino[2,1-b]quinazolin-6-one is sourced from PubChem (CID 101433684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).