2-(dimethylamino)-8-methoxy-3H-quinazolin-4-one

C11H13N3O2 — CID 136981745

IUPAC2-(dimethylamino)-8-methoxy-3H-quinazolin-4-one
SMILESCOc1cccc2c(=O)[nH]c(N(C)C)nc12
InChIInChI=1S/C11H13N3O2/c1-14(2)11-12-9-7(10(15)13-11)5-4-6-8(9)16-3/h4-6H,1-3H3,(H,12,13,15)
InChIKeyPJIVIKLJOSIJFP-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.00
Rot. Bonds2

About 2-(dimethylamino)-8-methoxy-3H-quinazolin-4-one

2-(dimethylamino)-8-methoxy-3H-quinazolin-4-one (PubChem CID 136981745) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(dimethylamino)-8-methoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-8-methoxy-3H-quinazolin-4-one
PubChem CID136981745
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-(dimethylamino)-8-methoxy-3H-quinazolin-4-one
SMILESCOc1cccc2c(=O)[nH]c(N(C)C)nc12
InChIInChI=1S/C11H13N3O2/c1-14(2)11-12-9-7(10(15)13-11)5-4-6-8(9)16-3/h4-6H,1-3H3,(H,12,13,15)
InChIKeyPJIVIKLJOSIJFP-UHFFFAOYSA-N
XLogP1.00
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-methoxy-3H-quinazolin-4-one?
The IUPAC name of 2-(dimethylamino)-8-methoxy-3H-quinazolin-4-one (CID 136981745) is 2-(dimethylamino)-8-methoxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-(dimethylamino)-8-methoxy-3H-quinazolin-4-one?
The canonical SMILES for 2-(dimethylamino)-8-methoxy-3H-quinazolin-4-one is COc1cccc2c(=O)[nH]c(N(C)C)nc12.
What is the InChIKey of 2-(dimethylamino)-8-methoxy-3H-quinazolin-4-one?
The InChIKey is PJIVIKLJOSIJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-14(2)11-12-9-7(10(15)13-11)5-4-6-8(9)16-3/h4-6H,1-3H3,(H,12,13,15).
What are the key properties of 2-(dimethylamino)-8-methoxy-3H-quinazolin-4-one?
2-(dimethylamino)-8-methoxy-3H-quinazolin-4-one has a molecular weight of 219.24 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-8-methoxy-3H-quinazolin-4-one is sourced from PubChem (CID 136981745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).