6-amino-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-3H-quinazolin-4-one

C13H14N6O2 — CID 136675690

IUPAC6-amino-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-3H-quinazolin-4-one
SMILESCc1noc(CCNc2nc3ccc(N)cc3c(=O)[nH]2)n1
InChIInChI=1S/C13H14N6O2/c1-7-16-11(21-19-7)4-5-15-13-17-10-3-2-8(14)6-9(10)12(20)18-13/h2-3,6H,4-5,14H2,1H3,(H2,15,17,18,20)
InChIKeySKLVVIGWDXEOPH-UHFFFAOYSA-N
MW286.30 g/mol
LogP0.85
Rot. Bonds4

About 6-amino-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-3H-quinazolin-4-one

6-amino-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-3H-quinazolin-4-one (PubChem CID 136675690) has the molecular formula C13H14N6O2 and a molecular weight of 286.30 g/mol. Its IUPAC name is 6-amino-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-3H-quinazolin-4-one
PubChem CID136675690
Molecular FormulaC13H14N6O2
Molecular Weight286.30 g/mol
Exact Mass286.12
IUPAC Name6-amino-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-3H-quinazolin-4-one
SMILESCc1noc(CCNc2nc3ccc(N)cc3c(=O)[nH]2)n1
InChIInChI=1S/C13H14N6O2/c1-7-16-11(21-19-7)4-5-15-13-17-10-3-2-8(14)6-9(10)12(20)18-13/h2-3,6H,4-5,14H2,1H3,(H2,15,17,18,20)
InChIKeySKLVVIGWDXEOPH-UHFFFAOYSA-N
XLogP0.85
TPSA122.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2-(4,4,4-trifluorobutylamino)-3H-quinazolin-4-one
CID 136809200
6-amino-2-(3-pyrrolidin-1-ylpropylamino)-3H-quinazolin-4-one
CID 136808991
6-amino-2-(2-prop-2-ynylsulfanylethylamino)-3H-quinazolin-4-one
CID 136902114
6-amino-2-(2-cyclopentyloxyethylamino)-3H-quinazolin-4-one
CID 136809039
6-amino-2-[(2-ethyl-4-hydroxybutyl)amino]-3H-quinazolin-4-one
CID 136809168
6-amino-2-[(1-hydroxy-4-methylpentan-2-yl)amino]-3H-quinazolin-4-one
CID 136808768
6-amino-2-[1-(diethylamino)propan-2-ylamino]-3H-quinazolin-4-one
CID 136808930
4-amino-N-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide
CID 106414229
6-amino-2-(4-hydroxypentan-2-ylamino)-3H-quinazolin-4-one
CID 136809233
2-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrimidin-6-one
CID 136993657
2,4-diamino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413367
6-amino-2-[(4-hydroxy-3-methylbutan-2-yl)amino]-3H-quinazolin-4-one
CID 136809282

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-3H-quinazolin-4-one (CID 136675690) is 6-amino-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-3H-quinazolin-4-one is Cc1noc(CCNc2nc3ccc(N)cc3c(=O)[nH]2)n1.
What is the InChIKey of 6-amino-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-3H-quinazolin-4-one?
The InChIKey is SKLVVIGWDXEOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2/c1-7-16-11(21-19-7)4-5-15-13-17-10-3-2-8(14)6-9(10)12(20)18-13/h2-3,6H,4-5,14H2,1H3,(H2,15,17,18,20).
What are the key properties of 6-amino-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-3H-quinazolin-4-one?
6-amino-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-3H-quinazolin-4-one has a molecular weight of 286.30 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-3H-quinazolin-4-one is sourced from PubChem (CID 136675690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).