7-chloro-4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]quinoline

C14H11ClN4O2S — CID 67842022

IUPAC7-chloro-4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]quinoline
SMILESCOc1nc(OC)nc(Sc2ccnc3cc(Cl)ccc23)n1
InChIInChI=1S/C14H11ClN4O2S/c1-20-12-17-13(21-2)19-14(18-12)22-11-5-6-16-10-7-8(15)3-4-9(10)11/h3-7H,1-2H3
InChIKeyCKJSESKSSSXAKN-UHFFFAOYSA-N
MW334.79 g/mol
LogP3.24
Rot. Bonds4

About 7-chloro-4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]quinoline

7-chloro-4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]quinoline (PubChem CID 67842022) has the molecular formula C14H11ClN4O2S and a molecular weight of 334.79 g/mol. Its IUPAC name is 7-chloro-4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]quinoline.

Molecular Properties

Compound Name7-chloro-4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]quinoline
PubChem CID67842022
Molecular FormulaC14H11ClN4O2S
Molecular Weight334.79 g/mol
Exact Mass334.03
IUPAC Name7-chloro-4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]quinoline
SMILESCOc1nc(OC)nc(Sc2ccnc3cc(Cl)ccc23)n1
InChIInChI=1S/C14H11ClN4O2S/c1-20-12-17-13(21-2)19-14(18-12)22-11-5-6-16-10-7-8(15)3-4-9(10)11/h3-7H,1-2H3
InChIKeyCKJSESKSSSXAKN-UHFFFAOYSA-N
XLogP3.24
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-chloro-4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]quinoline?
The IUPAC name of 7-chloro-4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]quinoline (CID 67842022) is 7-chloro-4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]quinoline.
What is the SMILES notation for 7-chloro-4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]quinoline?
The canonical SMILES for 7-chloro-4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]quinoline is COc1nc(OC)nc(Sc2ccnc3cc(Cl)ccc23)n1.
What is the InChIKey of 7-chloro-4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]quinoline?
The InChIKey is CKJSESKSSSXAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2S/c1-20-12-17-13(21-2)19-14(18-12)22-11-5-6-16-10-7-8(15)3-4-9(10)11/h3-7H,1-2H3.
What are the key properties of 7-chloro-4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]quinoline?
7-chloro-4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]quinoline has a molecular weight of 334.79 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]quinoline is sourced from PubChem (CID 67842022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).