2-ethyl-8-methoxy-5-methyl-3H-quinazolin-4-one

C12H14N2O2 — CID 137009972

IUPAC2-ethyl-8-methoxy-5-methyl-3H-quinazolin-4-one
SMILESCCc1nc2c(OC)ccc(C)c2c(=O)[nH]1
InChIInChI=1S/C12H14N2O2/c1-4-9-13-11-8(16-3)6-5-7(2)10(11)12(15)14-9/h5-6H,4H2,1-3H3,(H,13,14,15)
InChIKeyMJUMEPSMHBYEHX-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.80
Rot. Bonds2

About 2-ethyl-8-methoxy-5-methyl-3H-quinazolin-4-one

2-ethyl-8-methoxy-5-methyl-3H-quinazolin-4-one (PubChem CID 137009972) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-ethyl-8-methoxy-5-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-ethyl-8-methoxy-5-methyl-3H-quinazolin-4-one
PubChem CID137009972
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-ethyl-8-methoxy-5-methyl-3H-quinazolin-4-one
SMILESCCc1nc2c(OC)ccc(C)c2c(=O)[nH]1
InChIInChI=1S/C12H14N2O2/c1-4-9-13-11-8(16-3)6-5-7(2)10(11)12(15)14-9/h5-6H,4H2,1-3H3,(H,13,14,15)
InChIKeyMJUMEPSMHBYEHX-UHFFFAOYSA-N
XLogP1.80
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-methoxy-5-methyl-3H-quinazolin-4-one?
The IUPAC name of 2-ethyl-8-methoxy-5-methyl-3H-quinazolin-4-one (CID 137009972) is 2-ethyl-8-methoxy-5-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-ethyl-8-methoxy-5-methyl-3H-quinazolin-4-one?
The canonical SMILES for 2-ethyl-8-methoxy-5-methyl-3H-quinazolin-4-one is CCc1nc2c(OC)ccc(C)c2c(=O)[nH]1.
What is the InChIKey of 2-ethyl-8-methoxy-5-methyl-3H-quinazolin-4-one?
The InChIKey is MJUMEPSMHBYEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-4-9-13-11-8(16-3)6-5-7(2)10(11)12(15)14-9/h5-6H,4H2,1-3H3,(H,13,14,15).
What are the key properties of 2-ethyl-8-methoxy-5-methyl-3H-quinazolin-4-one?
2-ethyl-8-methoxy-5-methyl-3H-quinazolin-4-one has a molecular weight of 218.26 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-methoxy-5-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 137009972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).