2-(ethylaminomethyl)-4aH-quinazolin-4-one

C11H13N3O — CID 71628084

IUPAC2-(ethylaminomethyl)-4aH-quinazolin-4-one
SMILESCCNCC1=NC(=O)C2C=CC=CC2=N1
InChIInChI=1S/C11H13N3O/c1-2-12-7-10-13-9-6-4-3-5-8(9)11(15)14-10/h3-6,8,12H,2,7H2,1H3
InChIKeyLDPXTXZMPGPFQZ-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.72
Rot. Bonds3

About 2-(ethylaminomethyl)-4aH-quinazolin-4-one

2-(ethylaminomethyl)-4aH-quinazolin-4-one (PubChem CID 71628084) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-4aH-quinazolin-4-one.

Molecular Properties

Compound Name2-(ethylaminomethyl)-4aH-quinazolin-4-one
PubChem CID71628084
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-(ethylaminomethyl)-4aH-quinazolin-4-one
SMILESCCNCC1=NC(=O)C2C=CC=CC2=N1
InChIInChI=1S/C11H13N3O/c1-2-12-7-10-13-9-6-4-3-5-8(9)11(15)14-10/h3-6,8,12H,2,7H2,1H3
InChIKeyLDPXTXZMPGPFQZ-UHFFFAOYSA-N
XLogP0.72
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-4aH-quinazolin-4-one?
The IUPAC name of 2-(ethylaminomethyl)-4aH-quinazolin-4-one (CID 71628084) is 2-(ethylaminomethyl)-4aH-quinazolin-4-one.
What is the SMILES notation for 2-(ethylaminomethyl)-4aH-quinazolin-4-one?
The canonical SMILES for 2-(ethylaminomethyl)-4aH-quinazolin-4-one is CCNCC1=NC(=O)C2C=CC=CC2=N1.
What is the InChIKey of 2-(ethylaminomethyl)-4aH-quinazolin-4-one?
The InChIKey is LDPXTXZMPGPFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-12-7-10-13-9-6-4-3-5-8(9)11(15)14-10/h3-6,8,12H,2,7H2,1H3.
What are the key properties of 2-(ethylaminomethyl)-4aH-quinazolin-4-one?
2-(ethylaminomethyl)-4aH-quinazolin-4-one has a molecular weight of 203.25 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-4aH-quinazolin-4-one is sourced from PubChem (CID 71628084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).