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

C11H17N3O — CID 54589595

IUPAC3-[2-(methylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one
SMILESCNCCn1cnc2c(c1=O)CCCC2
InChIInChI=1S/C11H17N3O/c1-12-6-7-14-8-13-10-5-3-2-4-9(10)11(14)15/h8,12H,2-7H2,1H3
InChIKeyBWJBVCNEJDBPOF-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.34
Rot. Bonds3

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

3-[2-(methylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one (PubChem CID 54589595) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-[2-(methylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one.

Molecular Properties

Compound Name3-[2-(methylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one
PubChem CID54589595
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-[2-(methylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one
SMILESCNCCn1cnc2c(c1=O)CCCC2
InChIInChI=1S/C11H17N3O/c1-12-6-7-14-8-13-10-5-3-2-4-9(10)11(14)15/h8,12H,2-7H2,1H3
InChIKeyBWJBVCNEJDBPOF-UHFFFAOYSA-N
XLogP0.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one?
The IUPAC name of 3-[2-(methylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one (CID 54589595) is 3-[2-(methylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one.
What is the SMILES notation for 3-[2-(methylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one?
The canonical SMILES for 3-[2-(methylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one is CNCCn1cnc2c(c1=O)CCCC2.
What is the InChIKey of 3-[2-(methylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one?
The InChIKey is BWJBVCNEJDBPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-12-6-7-14-8-13-10-5-3-2-4-9(10)11(14)15/h8,12H,2-7H2,1H3.
What are the key properties of 3-[2-(methylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one?
3-[2-(methylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one has a molecular weight of 207.28 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one is sourced from PubChem (CID 54589595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).