2-(ethylamino)-6,7-dimethoxy-3H-quinazolin-4-one

C12H15N3O3 — CID 136951517

IUPAC2-(ethylamino)-6,7-dimethoxy-3H-quinazolin-4-one
SMILESCCNc1nc2cc(OC)c(OC)cc2c(=O)[nH]1
InChIInChI=1S/C12H15N3O3/c1-4-13-12-14-8-6-10(18-3)9(17-2)5-7(8)11(16)15-12/h5-6H,4H2,1-3H3,(H2,13,14,15,16)
InChIKeyYQMQFDDJRMJIPB-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.37
Rot. Bonds4

About 2-(ethylamino)-6,7-dimethoxy-3H-quinazolin-4-one

2-(ethylamino)-6,7-dimethoxy-3H-quinazolin-4-one (PubChem CID 136951517) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-(ethylamino)-6,7-dimethoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(ethylamino)-6,7-dimethoxy-3H-quinazolin-4-one
PubChem CID136951517
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-(ethylamino)-6,7-dimethoxy-3H-quinazolin-4-one
SMILESCCNc1nc2cc(OC)c(OC)cc2c(=O)[nH]1
InChIInChI=1S/C12H15N3O3/c1-4-13-12-14-8-6-10(18-3)9(17-2)5-7(8)11(16)15-12/h5-6H,4H2,1-3H3,(H2,13,14,15,16)
InChIKeyYQMQFDDJRMJIPB-UHFFFAOYSA-N
XLogP1.37
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(diethylamino)ethylamino]-6,7-dimethoxy-3H-quinazolin-4-one
CID 137303948
2-(ethylamino)-5,6,7-trimethoxy-3H-quinazolin-4-one
CID 136743156
2-(ethylamino)-6-methoxy-3H-quinazolin-4-one
CID 137287759
2-bromo-6,7-dimethoxy-3H-quinazolin-4-one
CID 163409774
6,7-dimethoxy-2-methyl-3H-quinazolin-4-one;6-hydroxy-7-methoxy-2-methyl-3H-quinazolin-4-one;methane
CID 158479470
6-ethoxy-2-ethyl-7-methoxy-3H-quinazolin-4-one
CID 137010023
2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135519701
6,7-dimethoxy-2-(trifluoromethyl)-3H-quinazolin-4-one
CID 135742363
6,7-dimethoxy-2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135715079
2-(cyclopropylmethyl)-6,7-dimethoxy-3H-quinazolin-4-one
CID 136640407
7-(4-hydroxy-3-oxobutoxy)-6-methoxy-2-methyl-3H-quinazolin-4-one
CID 171600544
2-[(4-ethoxy-3-methoxyphenyl)methylamino]-3H-quinazolin-4-one
CID 137264237

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-6,7-dimethoxy-3H-quinazolin-4-one?
The IUPAC name of 2-(ethylamino)-6,7-dimethoxy-3H-quinazolin-4-one (CID 136951517) is 2-(ethylamino)-6,7-dimethoxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-(ethylamino)-6,7-dimethoxy-3H-quinazolin-4-one?
The canonical SMILES for 2-(ethylamino)-6,7-dimethoxy-3H-quinazolin-4-one is CCNc1nc2cc(OC)c(OC)cc2c(=O)[nH]1.
What is the InChIKey of 2-(ethylamino)-6,7-dimethoxy-3H-quinazolin-4-one?
The InChIKey is YQMQFDDJRMJIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-4-13-12-14-8-6-10(18-3)9(17-2)5-7(8)11(16)15-12/h5-6H,4H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 2-(ethylamino)-6,7-dimethoxy-3H-quinazolin-4-one?
2-(ethylamino)-6,7-dimethoxy-3H-quinazolin-4-one has a molecular weight of 249.27 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-6,7-dimethoxy-3H-quinazolin-4-one is sourced from PubChem (CID 136951517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).