4-(6-chloro-3-pyridinyl)-6,7-dimethoxycinnoline

C15H12ClN3O2 — CID 57399198

IUPAC4-(6-chloro-3-pyridinyl)-6,7-dimethoxycinnoline
SMILESCOc1cc2nncc(-c3ccc(Cl)nc3)c2cc1OC
InChIInChI=1S/C15H12ClN3O2/c1-20-13-5-10-11(9-3-4-15(16)17-7-9)8-18-19-12(10)6-14(13)21-2/h3-8H,1-2H3
InChIKeySAUMISPIBRDPMU-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.36
Rot. Bonds3

About 4-(6-chloro-3-pyridinyl)-6,7-dimethoxycinnoline

4-(6-chloro-3-pyridinyl)-6,7-dimethoxycinnoline (PubChem CID 57399198) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 4-(6-chloro-3-pyridinyl)-6,7-dimethoxycinnoline.

Molecular Properties

Compound Name4-(6-chloro-3-pyridinyl)-6,7-dimethoxycinnoline
PubChem CID57399198
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name4-(6-chloro-3-pyridinyl)-6,7-dimethoxycinnoline
SMILESCOc1cc2nncc(-c3ccc(Cl)nc3)c2cc1OC
InChIInChI=1S/C15H12ClN3O2/c1-20-13-5-10-11(9-3-4-15(16)17-7-9)8-18-19-12(10)6-14(13)21-2/h3-8H,1-2H3
InChIKeySAUMISPIBRDPMU-UHFFFAOYSA-N
XLogP3.36
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-(6-chloro-3-pyridinyl)-6,7-dimethoxycinnoline 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 4-(6-chloro-3-pyridinyl)-6,7-dimethoxycinnoline?
The IUPAC name of 4-(6-chloro-3-pyridinyl)-6,7-dimethoxycinnoline (CID 57399198) is 4-(6-chloro-3-pyridinyl)-6,7-dimethoxycinnoline.
What is the SMILES notation for 4-(6-chloro-3-pyridinyl)-6,7-dimethoxycinnoline?
The canonical SMILES for 4-(6-chloro-3-pyridinyl)-6,7-dimethoxycinnoline is COc1cc2nncc(-c3ccc(Cl)nc3)c2cc1OC.
What is the InChIKey of 4-(6-chloro-3-pyridinyl)-6,7-dimethoxycinnoline?
The InChIKey is SAUMISPIBRDPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-20-13-5-10-11(9-3-4-15(16)17-7-9)8-18-19-12(10)6-14(13)21-2/h3-8H,1-2H3.
What are the key properties of 4-(6-chloro-3-pyridinyl)-6,7-dimethoxycinnoline?
4-(6-chloro-3-pyridinyl)-6,7-dimethoxycinnoline has a molecular weight of 301.73 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-3-pyridinyl)-6,7-dimethoxycinnoline is sourced from PubChem (CID 57399198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).