5-(2-aminoethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one

C13H21N3O — CID 83862004

IUPAC5-(2-aminoethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESCC(C)c1nc(=O)[nH]c2c1C(CCN)CCC2
InChIInChI=1S/C13H21N3O/c1-8(2)12-11-9(6-7-14)4-3-5-10(11)15-13(17)16-12/h8-9H,3-7,14H2,1-2H3,(H,15,16,17)
InChIKeySPOOZFPUTHKIIZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.66
Rot. Bonds3

About 5-(2-aminoethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one

5-(2-aminoethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one (PubChem CID 83862004) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-(2-aminoethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
PubChem CID83862004
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name5-(2-aminoethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESCC(C)c1nc(=O)[nH]c2c1C(CCN)CCC2
InChIInChI=1S/C13H21N3O/c1-8(2)12-11-9(6-7-14)4-3-5-10(11)15-13(17)16-12/h8-9H,3-7,14H2,1-2H3,(H,15,16,17)
InChIKeySPOOZFPUTHKIIZ-UHFFFAOYSA-N
XLogP1.66
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The IUPAC name of 5-(2-aminoethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one (CID 83862004) is 5-(2-aminoethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The canonical SMILES for 5-(2-aminoethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one is CC(C)c1nc(=O)[nH]c2c1C(CCN)CCC2.
What is the InChIKey of 5-(2-aminoethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The InChIKey is SPOOZFPUTHKIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-8(2)12-11-9(6-7-14)4-3-5-10(11)15-13(17)16-12/h8-9H,3-7,14H2,1-2H3,(H,15,16,17).
What are the key properties of 5-(2-aminoethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
5-(2-aminoethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one has a molecular weight of 235.33 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-4-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazolin-2-one is sourced from PubChem (CID 83862004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).