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

C14H12ClN4OS- — CID 135909415

IUPAC2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one chloride
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/p-1
InChIKeyJSVRVYCCSLQAON-UHFFFAOYSA-M
MW319.80 g/mol
LogP-0.64
Rot. Bonds2

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

2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one chloride (PubChem CID 135909415) has the molecular formula C14H12ClN4OS- and a molecular weight of 319.80 g/mol. Its IUPAC name is 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one chloride.

Molecular Properties

Compound Name2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one chloride
PubChem CID135909415
Molecular FormulaC14H12ClN4OS-
Molecular Weight319.80 g/mol
Exact Mass319.04
IUPAC Name2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one chloride
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/p-1
InChIKeyJSVRVYCCSLQAON-UHFFFAOYSA-M
XLogP-0.64
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 5-0.64
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 chloride?
The IUPAC name of 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one chloride (CID 135909415) is 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one chloride.
What is the SMILES notation for 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one chloride?
The canonical SMILES for 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one chloride 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 chloride?
The InChIKey is JSVRVYCCSLQAON-UHFFFAOYSA-M. 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/p-1.
What are the key properties of 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one chloride?
2-amino-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one chloride has a molecular weight of 319.80 g/mol, XLogP of -0.64, 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 chloride is sourced from PubChem (CID 135909415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).