2-amino-6,7-dimethoxy-3H-quinazolin-4-one

C10H11N3O3 — CID 135547026

IUPAC2-amino-6,7-dimethoxy-3H-quinazolin-4-one
SMILESCOc1cc2nc(N)[nH]c(=O)c2cc1OC
InChIInChI=1S/C10H11N3O3/c1-15-7-3-5-6(4-8(7)16-2)12-10(11)13-9(5)14/h3-4H,1-2H3,(H3,11,12,13,14)
InChIKeyOEASVAKVZYHCQH-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.52
Rot. Bonds2

About 2-amino-6,7-dimethoxy-3H-quinazolin-4-one

2-amino-6,7-dimethoxy-3H-quinazolin-4-one (PubChem CID 135547026) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-amino-6,7-dimethoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-amino-6,7-dimethoxy-3H-quinazolin-4-one
PubChem CID135547026
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name2-amino-6,7-dimethoxy-3H-quinazolin-4-one
SMILESCOc1cc2nc(N)[nH]c(=O)c2cc1OC
InChIInChI=1S/C10H11N3O3/c1-15-7-3-5-6(4-8(7)16-2)12-10(11)13-9(5)14/h3-4H,1-2H3,(H3,11,12,13,14)
InChIKeyOEASVAKVZYHCQH-UHFFFAOYSA-N
XLogP0.52
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6,7-dimethoxy-3H-quinazolin-4-one?
The IUPAC name of 2-amino-6,7-dimethoxy-3H-quinazolin-4-one (CID 135547026) is 2-amino-6,7-dimethoxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-amino-6,7-dimethoxy-3H-quinazolin-4-one?
The canonical SMILES for 2-amino-6,7-dimethoxy-3H-quinazolin-4-one is COc1cc2nc(N)[nH]c(=O)c2cc1OC.
What is the InChIKey of 2-amino-6,7-dimethoxy-3H-quinazolin-4-one?
The InChIKey is OEASVAKVZYHCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-15-7-3-5-6(4-8(7)16-2)12-10(11)13-9(5)14/h3-4H,1-2H3,(H3,11,12,13,14).
What are the key properties of 2-amino-6,7-dimethoxy-3H-quinazolin-4-one?
2-amino-6,7-dimethoxy-3H-quinazolin-4-one has a molecular weight of 221.22 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6,7-dimethoxy-3H-quinazolin-4-one is sourced from PubChem (CID 135547026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).