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

C13H17N3O3 — CID 135501961

IUPAC2-(ethylaminomethyl)-6,7-dimethoxy-3H-quinazolin-4-one
SMILESCCNCc1nc2cc(OC)c(OC)cc2c(=O)[nH]1
InChIInChI=1S/C13H17N3O3/c1-4-14-7-12-15-9-6-11(19-3)10(18-2)5-8(9)13(17)16-12/h5-6,14H,4,7H2,1-3H3,(H,15,16,17)
InChIKeySEXRDGFJSQWDRA-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.05
Rot. Bonds5

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

2-(ethylaminomethyl)-6,7-dimethoxy-3H-quinazolin-4-one (PubChem CID 135501961) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-6,7-dimethoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(ethylaminomethyl)-6,7-dimethoxy-3H-quinazolin-4-one
PubChem CID135501961
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-(ethylaminomethyl)-6,7-dimethoxy-3H-quinazolin-4-one
SMILESCCNCc1nc2cc(OC)c(OC)cc2c(=O)[nH]1
InChIInChI=1S/C13H17N3O3/c1-4-14-7-12-15-9-6-11(19-3)10(18-2)5-8(9)13(17)16-12/h5-6,14H,4,7H2,1-3H3,(H,15,16,17)
InChIKeySEXRDGFJSQWDRA-UHFFFAOYSA-N
XLogP1.05
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-6,7-dimethoxy-3H-quinazolin-4-one?
The IUPAC name of 2-(ethylaminomethyl)-6,7-dimethoxy-3H-quinazolin-4-one (CID 135501961) is 2-(ethylaminomethyl)-6,7-dimethoxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-(ethylaminomethyl)-6,7-dimethoxy-3H-quinazolin-4-one?
The canonical SMILES for 2-(ethylaminomethyl)-6,7-dimethoxy-3H-quinazolin-4-one is CCNCc1nc2cc(OC)c(OC)cc2c(=O)[nH]1.
What is the InChIKey of 2-(ethylaminomethyl)-6,7-dimethoxy-3H-quinazolin-4-one?
The InChIKey is SEXRDGFJSQWDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-4-14-7-12-15-9-6-11(19-3)10(18-2)5-8(9)13(17)16-12/h5-6,14H,4,7H2,1-3H3,(H,15,16,17).
What are the key properties of 2-(ethylaminomethyl)-6,7-dimethoxy-3H-quinazolin-4-one?
2-(ethylaminomethyl)-6,7-dimethoxy-3H-quinazolin-4-one has a molecular weight of 263.30 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-6,7-dimethoxy-3H-quinazolin-4-one is sourced from PubChem (CID 135501961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).