3-(3-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-one

C11H17N3O — CID 82105229

IUPAC3-(3-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-one
SMILESNCCCn1cnc2c(c1=O)CCCC2
InChIInChI=1S/C11H17N3O/c12-6-3-7-14-8-13-10-5-2-1-4-9(10)11(14)15/h8H,1-7,12H2
InChIKeyYLBQJCLIJCHIKN-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.47
Rot. Bonds3

About 3-(3-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-one

3-(3-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-one (PubChem CID 82105229) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-(3-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-one.

Molecular Properties

Compound Name3-(3-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-one
PubChem CID82105229
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-(3-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-one
SMILESNCCCn1cnc2c(c1=O)CCCC2
InChIInChI=1S/C11H17N3O/c12-6-3-7-14-8-13-10-5-2-1-4-9(10)11(14)15/h8H,1-7,12H2
InChIKeyYLBQJCLIJCHIKN-UHFFFAOYSA-N
XLogP0.47
TPSA60.91 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 ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-one?
The IUPAC name of 3-(3-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-one (CID 82105229) is 3-(3-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-one.
What is the SMILES notation for 3-(3-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-one?
The canonical SMILES for 3-(3-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-one is NCCCn1cnc2c(c1=O)CCCC2.
What is the InChIKey of 3-(3-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-one?
The InChIKey is YLBQJCLIJCHIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-6-3-7-14-8-13-10-5-2-1-4-9(10)11(14)15/h8H,1-7,12H2.
What are the key properties of 3-(3-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-one?
3-(3-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-one has a molecular weight of 207.28 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-one is sourced from PubChem (CID 82105229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).