6-amino-2-[(2-oxopiperidin-3-yl)amino]-3H-quinazolin-4-one

C13H15N5O2 — CID 136808940

IUPAC6-amino-2-[(2-oxopiperidin-3-yl)amino]-3H-quinazolin-4-one
SMILESNc1ccc2nc(NC3CCCNC3=O)[nH]c(=O)c2c1
InChIInChI=1S/C13H15N5O2/c14-7-3-4-9-8(6-7)11(19)18-13(16-9)17-10-2-1-5-15-12(10)20/h3-4,6,10H,1-2,5,14H2,(H,15,20)(H2,16,17,18,19)
InChIKeyXFKBJPMQDJYSSQ-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.20
Rot. Bonds2

About 6-amino-2-[(2-oxopiperidin-3-yl)amino]-3H-quinazolin-4-one

6-amino-2-[(2-oxopiperidin-3-yl)amino]-3H-quinazolin-4-one (PubChem CID 136808940) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 6-amino-2-[(2-oxopiperidin-3-yl)amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-[(2-oxopiperidin-3-yl)amino]-3H-quinazolin-4-one
PubChem CID136808940
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name6-amino-2-[(2-oxopiperidin-3-yl)amino]-3H-quinazolin-4-one
SMILESNc1ccc2nc(NC3CCCNC3=O)[nH]c(=O)c2c1
InChIInChI=1S/C13H15N5O2/c14-7-3-4-9-8(6-7)11(19)18-13(16-9)17-10-2-1-5-15-12(10)20/h3-4,6,10H,1-2,5,14H2,(H,15,20)(H2,16,17,18,19)
InChIKeyXFKBJPMQDJYSSQ-UHFFFAOYSA-N
XLogP0.20
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-amino-2-[(2-oxopiperidin-3-yl)amino]-3H-quinazolin-4-one with MolForge

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Related Compounds

6-amino-2-[(2-methylcyclopentyl)amino]-3H-quinazolin-4-one
CID 136809007
3-[(6-amino-1,3-benzoxazol-2-yl)amino]piperidin-2-one
CID 79893578
6-amino-2-[(1-methylpyrrolidin-3-yl)amino]-3H-quinazolin-4-one
CID 136808808
6-amino-2-[(1-methylpiperidin-3-yl)amino]-3H-quinazolin-4-one
CID 136808766
6-amino-2-[(2-methylcyclopentyl)methylamino]-3H-quinazolin-4-one
CID 136867407
3-(4-amino-2-fluoroanilino)piperidin-2-one
CID 62093075
6-amino-2-(2,2-dimethylhydrazinyl)-3H-quinazolin-4-one
CID 136809214
3-[(2-oxopiperidin-3-yl)amino]-2H-isoquinolin-1-one
CID 62094516
6-amino-2-(4-chloroanilino)-3H-quinazolin-4-one
CID 136808617
3-[(5-aminoquinolin-6-yl)amino]piperidin-2-one
CID 62092176
6-amino-2-(3-pyrrolidin-1-ylpropylamino)-3H-quinazolin-4-one
CID 136808991
6-amino-2-cycloheptyloxy-3H-quinazolin-4-one
CID 136809510

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(2-oxopiperidin-3-yl)amino]-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-[(2-oxopiperidin-3-yl)amino]-3H-quinazolin-4-one (CID 136808940) is 6-amino-2-[(2-oxopiperidin-3-yl)amino]-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-[(2-oxopiperidin-3-yl)amino]-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-[(2-oxopiperidin-3-yl)amino]-3H-quinazolin-4-one is Nc1ccc2nc(NC3CCCNC3=O)[nH]c(=O)c2c1.
What is the InChIKey of 6-amino-2-[(2-oxopiperidin-3-yl)amino]-3H-quinazolin-4-one?
The InChIKey is XFKBJPMQDJYSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c14-7-3-4-9-8(6-7)11(19)18-13(16-9)17-10-2-1-5-15-12(10)20/h3-4,6,10H,1-2,5,14H2,(H,15,20)(H2,16,17,18,19).
What are the key properties of 6-amino-2-[(2-oxopiperidin-3-yl)amino]-3H-quinazolin-4-one?
6-amino-2-[(2-oxopiperidin-3-yl)amino]-3H-quinazolin-4-one has a molecular weight of 273.30 g/mol, XLogP of 0.20, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(2-oxopiperidin-3-yl)amino]-3H-quinazolin-4-one is sourced from PubChem (CID 136808940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).