6-amino-2-[(2-methyl-3-pyridinyl)oxy]-3H-quinazolin-4-one

C14H12N4O2 — CID 136809559

IUPAC6-amino-2-[(2-methyl-3-pyridinyl)oxy]-3H-quinazolin-4-one
SMILESCc1ncccc1Oc1nc2ccc(N)cc2c(=O)[nH]1
InChIInChI=1S/C14H12N4O2/c1-8-12(3-2-6-16-8)20-14-17-11-5-4-9(15)7-10(11)13(19)18-14/h2-7H,15H2,1H3,(H,17,18,19)
InChIKeyCBJRSIFVEHWBML-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.00
Rot. Bonds2

About 6-amino-2-[(2-methyl-3-pyridinyl)oxy]-3H-quinazolin-4-one

6-amino-2-[(2-methyl-3-pyridinyl)oxy]-3H-quinazolin-4-one (PubChem CID 136809559) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 6-amino-2-[(2-methyl-3-pyridinyl)oxy]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-[(2-methyl-3-pyridinyl)oxy]-3H-quinazolin-4-one
PubChem CID136809559
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name6-amino-2-[(2-methyl-3-pyridinyl)oxy]-3H-quinazolin-4-one
SMILESCc1ncccc1Oc1nc2ccc(N)cc2c(=O)[nH]1
InChIInChI=1S/C14H12N4O2/c1-8-12(3-2-6-16-8)20-14-17-11-5-4-9(15)7-10(11)13(19)18-14/h2-7H,15H2,1H3,(H,17,18,19)
InChIKeyCBJRSIFVEHWBML-UHFFFAOYSA-N
XLogP2.00
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2-(2-methylphenoxy)-3H-quinazolin-4-one
CID 136809447
2-[(6-amino-4-oxo-3H-quinazolin-2-yl)oxy]benzonitrile
CID 136809460
6-amino-2-[2-(hydroxymethyl)phenoxy]-3H-quinazolin-4-one
CID 136809534
6-amino-2-(2-bromo-5-fluorophenoxy)-3H-quinazolin-4-one
CID 136809564
6-amino-2-(2,5-dimethylpyrazol-3-yl)oxy-3H-quinazolin-4-one
CID 136809563
6-amino-2-(3-methylbutan-2-yloxy)-3H-quinazolin-4-one
CID 136809560
6-amino-2-(oxetan-3-yloxy)-3H-quinazolin-4-one
CID 136809586
6-amino-2-(3-bromo-5-fluorophenoxy)-3H-quinazolin-4-one
CID 136809561
6-amino-2-cycloheptyloxy-3H-quinazolin-4-one
CID 136809510
6-amino-2-[(1-methylpiperidin-2-yl)methoxy]-3H-quinazolin-4-one
CID 136809550
6-amino-2-methylsulfanyl-3H-quinazolin-4-one
CID 136809642
6-amino-2-(4-methylpyrimidin-2-yl)sulfanyl-3H-quinazolin-4-one
CID 136809651

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(2-methyl-3-pyridinyl)oxy]-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-[(2-methyl-3-pyridinyl)oxy]-3H-quinazolin-4-one (CID 136809559) is 6-amino-2-[(2-methyl-3-pyridinyl)oxy]-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-[(2-methyl-3-pyridinyl)oxy]-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-[(2-methyl-3-pyridinyl)oxy]-3H-quinazolin-4-one is Cc1ncccc1Oc1nc2ccc(N)cc2c(=O)[nH]1.
What is the InChIKey of 6-amino-2-[(2-methyl-3-pyridinyl)oxy]-3H-quinazolin-4-one?
The InChIKey is CBJRSIFVEHWBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-8-12(3-2-6-16-8)20-14-17-11-5-4-9(15)7-10(11)13(19)18-14/h2-7H,15H2,1H3,(H,17,18,19).
What are the key properties of 6-amino-2-[(2-methyl-3-pyridinyl)oxy]-3H-quinazolin-4-one?
6-amino-2-[(2-methyl-3-pyridinyl)oxy]-3H-quinazolin-4-one has a molecular weight of 268.28 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(2-methyl-3-pyridinyl)oxy]-3H-quinazolin-4-one is sourced from PubChem (CID 136809559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).