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

C13H17N3O3 — CID 71628082

IUPAC2-(ethylaminomethyl)-6,7-dimethoxy-4aH-quinazolin-4-one
SMILESCCNCC1=NC(=O)C2C=C(OC)C(OC)=CC2=N1
InChIInChI=1S/C13H17N3O3/c1-4-14-7-12-15-9-6-11(19-3)10(18-2)5-8(9)13(17)16-12/h5-6,8,14H,4,7H2,1-3H3
InChIKeyYQGDIKXTMLIILH-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.67
Rot. Bonds5

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

2-(ethylaminomethyl)-6,7-dimethoxy-4aH-quinazolin-4-one (PubChem CID 71628082) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-6,7-dimethoxy-4aH-quinazolin-4-one.

Molecular Properties

Compound Name2-(ethylaminomethyl)-6,7-dimethoxy-4aH-quinazolin-4-one
PubChem CID71628082
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-(ethylaminomethyl)-6,7-dimethoxy-4aH-quinazolin-4-one
SMILESCCNCC1=NC(=O)C2C=C(OC)C(OC)=CC2=N1
InChIInChI=1S/C13H17N3O3/c1-4-14-7-12-15-9-6-11(19-3)10(18-2)5-8(9)13(17)16-12/h5-6,8,14H,4,7H2,1-3H3
InChIKeyYQGDIKXTMLIILH-UHFFFAOYSA-N
XLogP0.67
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6,7-dimethoxy-4aH-quinazolin-4-one
CID 45025720
2-(ethylaminomethyl)-6,7-dimethoxy-4aH-quinazolin-4-one;hydrochloride
CID 71628081

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-6,7-dimethoxy-4aH-quinazolin-4-one?
The IUPAC name of 2-(ethylaminomethyl)-6,7-dimethoxy-4aH-quinazolin-4-one (CID 71628082) is 2-(ethylaminomethyl)-6,7-dimethoxy-4aH-quinazolin-4-one.
What is the SMILES notation for 2-(ethylaminomethyl)-6,7-dimethoxy-4aH-quinazolin-4-one?
The canonical SMILES for 2-(ethylaminomethyl)-6,7-dimethoxy-4aH-quinazolin-4-one is CCNCC1=NC(=O)C2C=C(OC)C(OC)=CC2=N1.
What is the InChIKey of 2-(ethylaminomethyl)-6,7-dimethoxy-4aH-quinazolin-4-one?
The InChIKey is YQGDIKXTMLIILH-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/h5-6,8,14H,4,7H2,1-3H3.
What are the key properties of 2-(ethylaminomethyl)-6,7-dimethoxy-4aH-quinazolin-4-one?
2-(ethylaminomethyl)-6,7-dimethoxy-4aH-quinazolin-4-one has a molecular weight of 263.30 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-6,7-dimethoxy-4aH-quinazolin-4-one is sourced from PubChem (CID 71628082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).