3-[2-(ethylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one

C12H19N3O — CID 54589596

IUPAC3-[2-(ethylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one
SMILESCCNCCn1cnc2c(c1=O)CCCC2
InChIInChI=1S/C12H19N3O/c1-2-13-7-8-15-9-14-11-6-4-3-5-10(11)12(15)16/h9,13H,2-8H2,1H3
InChIKeyOFXCVCMASOLPLL-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.73
Rot. Bonds4

About 3-[2-(ethylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one

3-[2-(ethylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one (PubChem CID 54589596) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[2-(ethylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one.

Molecular Properties

Compound Name3-[2-(ethylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one
PubChem CID54589596
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-[2-(ethylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one
SMILESCCNCCn1cnc2c(c1=O)CCCC2
InChIInChI=1S/C12H19N3O/c1-2-13-7-8-15-9-14-11-6-4-3-5-10(11)12(15)16/h9,13H,2-8H2,1H3
InChIKeyOFXCVCMASOLPLL-UHFFFAOYSA-N
XLogP0.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one?
The IUPAC name of 3-[2-(ethylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one (CID 54589596) is 3-[2-(ethylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one.
What is the SMILES notation for 3-[2-(ethylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one?
The canonical SMILES for 3-[2-(ethylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one is CCNCCn1cnc2c(c1=O)CCCC2.
What is the InChIKey of 3-[2-(ethylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one?
The InChIKey is OFXCVCMASOLPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-13-7-8-15-9-14-11-6-4-3-5-10(11)12(15)16/h9,13H,2-8H2,1H3.
What are the key properties of 3-[2-(ethylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one?
3-[2-(ethylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one has a molecular weight of 221.30 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one is sourced from PubChem (CID 54589596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).