2-amino-7,8-dihydro-6H-quinazolin-5-one;hydrochloride

C8H10ClN3O — CID 56777519

IUPAC2-amino-7,8-dihydro-6H-quinazolin-5-one;hydrochloride
SMILESCl.Nc1ncc2c(n1)CCCC2=O
InChIInChI=1S/C8H9N3O.ClH/c9-8-10-4-5-6(11-8)2-1-3-7(5)12;/h4H,1-3H2,(H2,9,10,11);1H
InChIKeyDZLPJUAUGVLQIK-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.00
Rot. Bonds

About 2-amino-7,8-dihydro-6H-quinazolin-5-one;hydrochloride

2-amino-7,8-dihydro-6H-quinazolin-5-one;hydrochloride (PubChem CID 56777519) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-amino-7,8-dihydro-6H-quinazolin-5-one;hydrochloride.

Molecular Properties

Compound Name2-amino-7,8-dihydro-6H-quinazolin-5-one;hydrochloride
PubChem CID56777519
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name2-amino-7,8-dihydro-6H-quinazolin-5-one;hydrochloride
SMILESCl.Nc1ncc2c(n1)CCCC2=O
InChIInChI=1S/C8H9N3O.ClH/c9-8-10-4-5-6(11-8)2-1-3-7(5)12;/h4H,1-3H2,(H2,9,10,11);1H
InChIKeyDZLPJUAUGVLQIK-UHFFFAOYSA-N
XLogP1.00
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7,8-dihydro-6H-quinazolin-5-one;hydrochloride?
The IUPAC name of 2-amino-7,8-dihydro-6H-quinazolin-5-one;hydrochloride (CID 56777519) is 2-amino-7,8-dihydro-6H-quinazolin-5-one;hydrochloride.
What is the SMILES notation for 2-amino-7,8-dihydro-6H-quinazolin-5-one;hydrochloride?
The canonical SMILES for 2-amino-7,8-dihydro-6H-quinazolin-5-one;hydrochloride is Cl.Nc1ncc2c(n1)CCCC2=O.
What is the InChIKey of 2-amino-7,8-dihydro-6H-quinazolin-5-one;hydrochloride?
The InChIKey is DZLPJUAUGVLQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O.ClH/c9-8-10-4-5-6(11-8)2-1-3-7(5)12;/h4H,1-3H2,(H2,9,10,11);1H.
What are the key properties of 2-amino-7,8-dihydro-6H-quinazolin-5-one;hydrochloride?
2-amino-7,8-dihydro-6H-quinazolin-5-one;hydrochloride has a molecular weight of 199.64 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7,8-dihydro-6H-quinazolin-5-one;hydrochloride is sourced from PubChem (CID 56777519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).