3-(2-aminoethyl)-1-methylquinazoline-2,4-dione;hydrochloride

C11H14ClN3O2 — CID 75485502

IUPAC3-(2-aminoethyl)-1-methylquinazoline-2,4-dione;hydrochloride
SMILESCl.Cn1c(=O)n(CCN)c(=O)c2ccccc21
InChIInChI=1S/C11H13N3O2.ClH/c1-13-9-5-3-2-4-8(9)10(15)14(7-6-12)11(13)16;/h2-5H,6-7,12H2,1H3;1H
InChIKeyBMMKKIIGJFIGMJ-UHFFFAOYSA-N
MW255.71 g/mol
LogP0.08
Rot. Bonds2

About 3-(2-aminoethyl)-1-methylquinazoline-2,4-dione;hydrochloride

3-(2-aminoethyl)-1-methylquinazoline-2,4-dione;hydrochloride (PubChem CID 75485502) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.71 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1-methylquinazoline-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-(2-aminoethyl)-1-methylquinazoline-2,4-dione;hydrochloride
PubChem CID75485502
Molecular FormulaC11H14ClN3O2
Molecular Weight255.71 g/mol
Exact Mass255.08
IUPAC Name3-(2-aminoethyl)-1-methylquinazoline-2,4-dione;hydrochloride
SMILESCl.Cn1c(=O)n(CCN)c(=O)c2ccccc21
InChIInChI=1S/C11H13N3O2.ClH/c1-13-9-5-3-2-4-8(9)10(15)14(7-6-12)11(13)16;/h2-5H,6-7,12H2,1H3;1H
InChIKeyBMMKKIIGJFIGMJ-UHFFFAOYSA-N
XLogP0.08
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1-methylquinazoline-2,4-dione;hydrochloride?
The IUPAC name of 3-(2-aminoethyl)-1-methylquinazoline-2,4-dione;hydrochloride (CID 75485502) is 3-(2-aminoethyl)-1-methylquinazoline-2,4-dione;hydrochloride.
What is the SMILES notation for 3-(2-aminoethyl)-1-methylquinazoline-2,4-dione;hydrochloride?
The canonical SMILES for 3-(2-aminoethyl)-1-methylquinazoline-2,4-dione;hydrochloride is Cl.Cn1c(=O)n(CCN)c(=O)c2ccccc21.
What is the InChIKey of 3-(2-aminoethyl)-1-methylquinazoline-2,4-dione;hydrochloride?
The InChIKey is BMMKKIIGJFIGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2.ClH/c1-13-9-5-3-2-4-8(9)10(15)14(7-6-12)11(13)16;/h2-5H,6-7,12H2,1H3;1H.
What are the key properties of 3-(2-aminoethyl)-1-methylquinazoline-2,4-dione;hydrochloride?
3-(2-aminoethyl)-1-methylquinazoline-2,4-dione;hydrochloride has a molecular weight of 255.71 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1-methylquinazoline-2,4-dione;hydrochloride is sourced from PubChem (CID 75485502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).