5-(2-aminoethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one

C10H15N3O — CID 83861984

IUPAC5-(2-aminoethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESNCCC1CCCc2[nH]c(=O)ncc21
InChIInChI=1S/C10H15N3O/c11-5-4-7-2-1-3-9-8(7)6-12-10(14)13-9/h6-7H,1-5,11H2,(H,12,13,14)
InChIKeyBJTDFMOHGKAPFJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.54
Rot. Bonds2

About 5-(2-aminoethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one

5-(2-aminoethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one (PubChem CID 83861984) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-(2-aminoethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one
PubChem CID83861984
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name5-(2-aminoethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESNCCC1CCCc2[nH]c(=O)ncc21
InChIInChI=1S/C10H15N3O/c11-5-4-7-2-1-3-9-8(7)6-12-10(14)13-9/h6-7H,1-5,11H2,(H,12,13,14)
InChIKeyBJTDFMOHGKAPFJ-UHFFFAOYSA-N
XLogP0.54
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The IUPAC name of 5-(2-aminoethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one (CID 83861984) is 5-(2-aminoethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The canonical SMILES for 5-(2-aminoethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one is NCCC1CCCc2[nH]c(=O)ncc21.
What is the InChIKey of 5-(2-aminoethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The InChIKey is BJTDFMOHGKAPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c11-5-4-7-2-1-3-9-8(7)6-12-10(14)13-9/h6-7H,1-5,11H2,(H,12,13,14).
What are the key properties of 5-(2-aminoethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
5-(2-aminoethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one has a molecular weight of 193.25 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one is sourced from PubChem (CID 83861984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).