pyrido[1,2-c]quinazoline-6-thione

C12H8N2S — CID 10822435

IUPACpyrido[1,2-c]quinazoline-6-thione
SMILESS=c1nc2ccccc2c2ccccn12
InChIInChI=1S/C12H8N2S/c15-12-13-10-6-2-1-5-9(10)11-7-3-4-8-14(11)12/h1-8H
InChIKeyUHLQCWJMWNTQNR-UHFFFAOYSA-N
MW212.28 g/mol
LogP3.22
Rot. Bonds

About pyrido[1,2-c]quinazoline-6-thione

pyrido[1,2-c]quinazoline-6-thione (PubChem CID 10822435) has the molecular formula C12H8N2S and a molecular weight of 212.28 g/mol. Its IUPAC name is pyrido[1,2-c]quinazoline-6-thione.

Molecular Properties

Compound Namepyrido[1,2-c]quinazoline-6-thione
PubChem CID10822435
Molecular FormulaC12H8N2S
Molecular Weight212.28 g/mol
Exact Mass212.04
IUPAC Namepyrido[1,2-c]quinazoline-6-thione
SMILESS=c1nc2ccccc2c2ccccn12
InChIInChI=1S/C12H8N2S/c15-12-13-10-6-2-1-5-9(10)11-7-3-4-8-14(11)12/h1-8H
InChIKeyUHLQCWJMWNTQNR-UHFFFAOYSA-N
XLogP3.22
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrido[1,2-c]quinazoline-6-thione?
The IUPAC name of pyrido[1,2-c]quinazoline-6-thione (CID 10822435) is pyrido[1,2-c]quinazoline-6-thione.
What is the SMILES notation for pyrido[1,2-c]quinazoline-6-thione?
The canonical SMILES for pyrido[1,2-c]quinazoline-6-thione is S=c1nc2ccccc2c2ccccn12.
What is the InChIKey of pyrido[1,2-c]quinazoline-6-thione?
The InChIKey is UHLQCWJMWNTQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2S/c15-12-13-10-6-2-1-5-9(10)11-7-3-4-8-14(11)12/h1-8H.
What are the key properties of pyrido[1,2-c]quinazoline-6-thione?
pyrido[1,2-c]quinazoline-6-thione has a molecular weight of 212.28 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[1,2-c]quinazoline-6-thione is sourced from PubChem (CID 10822435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).