4-amino-3-ethylquinazolin-2-one

C10H11N3O — CID 2754868

IUPAC4-amino-3-ethylquinazolin-2-one
SMILESCCn1c(N)c2ccccc2nc1=O
InChIInChI=1S/C10H11N3O/c1-2-13-9(11)7-5-3-4-6-8(7)12-10(13)14/h3-6H,2,11H2,1H3
InChIKeyMFDAXYLPBXZFOM-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.00
Rot. Bonds1

About 4-amino-3-ethylquinazolin-2-one

4-amino-3-ethylquinazolin-2-one (PubChem CID 2754868) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-amino-3-ethylquinazolin-2-one.

Molecular Properties

Compound Name4-amino-3-ethylquinazolin-2-one
PubChem CID2754868
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-amino-3-ethylquinazolin-2-one
SMILESCCn1c(N)c2ccccc2nc1=O
InChIInChI=1S/C10H11N3O/c1-2-13-9(11)7-5-3-4-6-8(7)12-10(13)14/h3-6H,2,11H2,1H3
InChIKeyMFDAXYLPBXZFOM-UHFFFAOYSA-N
XLogP1.00
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethylquinazolin-2-one?
The IUPAC name of 4-amino-3-ethylquinazolin-2-one (CID 2754868) is 4-amino-3-ethylquinazolin-2-one.
What is the SMILES notation for 4-amino-3-ethylquinazolin-2-one?
The canonical SMILES for 4-amino-3-ethylquinazolin-2-one is CCn1c(N)c2ccccc2nc1=O.
What is the InChIKey of 4-amino-3-ethylquinazolin-2-one?
The InChIKey is MFDAXYLPBXZFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-2-13-9(11)7-5-3-4-6-8(7)12-10(13)14/h3-6H,2,11H2,1H3.
What are the key properties of 4-amino-3-ethylquinazolin-2-one?
4-amino-3-ethylquinazolin-2-one has a molecular weight of 189.22 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethylquinazolin-2-one is sourced from PubChem (CID 2754868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).