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

C13H18ClN3O3 — CID 71628081

IUPAC2-(ethylaminomethyl)-6,7-dimethoxy-4aH-quinazolin-4-one;hydrochloride
SMILESCCNCC1=NC(=O)C2C=C(OC)C(OC)=CC2=N1.Cl
InChIInChI=1S/C13H17N3O3.ClH/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;1H
InChIKeyVPTYDJRSCAIOEL-UHFFFAOYSA-N
MW299.76 g/mol
LogP1.09
Rot. Bonds5

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

2-(ethylaminomethyl)-6,7-dimethoxy-4aH-quinazolin-4-one;hydrochloride (PubChem CID 71628081) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-6,7-dimethoxy-4aH-quinazolin-4-one;hydrochloride.

Molecular Properties

Compound Name2-(ethylaminomethyl)-6,7-dimethoxy-4aH-quinazolin-4-one;hydrochloride
PubChem CID71628081
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC Name2-(ethylaminomethyl)-6,7-dimethoxy-4aH-quinazolin-4-one;hydrochloride
SMILESCCNCC1=NC(=O)C2C=C(OC)C(OC)=CC2=N1.Cl
InChIInChI=1S/C13H17N3O3.ClH/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;1H
InChIKeyVPTYDJRSCAIOEL-UHFFFAOYSA-N
XLogP1.09
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 51.09
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
CID 71628082

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-6,7-dimethoxy-4aH-quinazolin-4-one;hydrochloride?
The IUPAC name of 2-(ethylaminomethyl)-6,7-dimethoxy-4aH-quinazolin-4-one;hydrochloride (CID 71628081) is 2-(ethylaminomethyl)-6,7-dimethoxy-4aH-quinazolin-4-one;hydrochloride.
What is the SMILES notation for 2-(ethylaminomethyl)-6,7-dimethoxy-4aH-quinazolin-4-one;hydrochloride?
The canonical SMILES for 2-(ethylaminomethyl)-6,7-dimethoxy-4aH-quinazolin-4-one;hydrochloride is CCNCC1=NC(=O)C2C=C(OC)C(OC)=CC2=N1.Cl.
What is the InChIKey of 2-(ethylaminomethyl)-6,7-dimethoxy-4aH-quinazolin-4-one;hydrochloride?
The InChIKey is VPTYDJRSCAIOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3.ClH/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;1H.
What are the key properties of 2-(ethylaminomethyl)-6,7-dimethoxy-4aH-quinazolin-4-one;hydrochloride?
2-(ethylaminomethyl)-6,7-dimethoxy-4aH-quinazolin-4-one;hydrochloride has a molecular weight of 299.76 g/mol, XLogP of 1.09, 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;hydrochloride is sourced from PubChem (CID 71628081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).