2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one;hydrochloride

C14H13ClN4OS — CID 135475884

IUPAC2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one;hydrochloride
SMILESCc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccncc1.Cl
InChIInChI=1S/C14H12N4OS.ClH/c1-8-2-3-10-11(13(19)18-14(15)17-10)12(8)20-9-4-6-16-7-5-9;/h2-7H,1H3,(H3,15,17,18,19);1H
InChIKeyJSVRVYCCSLQAON-UHFFFAOYSA-N
MW320.81 g/mol
LogP2.78
Rot. Bonds2

About 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one;hydrochloride

2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one;hydrochloride (PubChem CID 135475884) has the molecular formula C14H13ClN4OS and a molecular weight of 320.81 g/mol. Its IUPAC name is 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one;hydrochloride.

Molecular Properties

Compound Name2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one;hydrochloride
PubChem CID135475884
Molecular FormulaC14H13ClN4OS
Molecular Weight320.81 g/mol
Exact Mass320.05
IUPAC Name2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one;hydrochloride
SMILESCc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccncc1.Cl
InChIInChI=1S/C14H12N4OS.ClH/c1-8-2-3-10-11(13(19)18-14(15)17-10)12(8)20-9-4-6-16-7-5-9;/h2-7H,1H3,(H3,15,17,18,19);1H
InChIKeyJSVRVYCCSLQAON-UHFFFAOYSA-N
XLogP2.78
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.81
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one;hydrochloride?
The IUPAC name of 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one;hydrochloride (CID 135475884) is 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one;hydrochloride.
What is the SMILES notation for 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one;hydrochloride?
The canonical SMILES for 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one;hydrochloride is Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccncc1.Cl.
What is the InChIKey of 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one;hydrochloride?
The InChIKey is JSVRVYCCSLQAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS.ClH/c1-8-2-3-10-11(13(19)18-14(15)17-10)12(8)20-9-4-6-16-7-5-9;/h2-7H,1H3,(H3,15,17,18,19);1H.
What are the key properties of 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one;hydrochloride?
2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one;hydrochloride has a molecular weight of 320.81 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one;hydrochloride is sourced from PubChem (CID 135475884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).