pyridine;2-pyrimidin-2-ylpyrimidine;quinoline

C22H18N6 — CID 175435300

IUPACpyridine;2-pyrimidin-2-ylpyrimidine;quinoline
SMILESc1ccc2ncccc2c1.c1ccncc1.c1cnc(-c2ncccn2)nc1
InChIInChI=1S/C9H7N.C8H6N4.C5H5N/c1-2-6-9-8(4-1)5-3-7-10-9;1-3-9-7(10-4-1)8-11-5-2-6-12-8;1-2-4-6-5-3-1/h1-7H;1-6H;1-5H
InChIKeyADLLPESVWPLIFH-UHFFFAOYSA-N
MW366.43 g/mol
LogP4.25
Rot. Bonds1

About pyridine;2-pyrimidin-2-ylpyrimidine;quinoline

pyridine;2-pyrimidin-2-ylpyrimidine;quinoline (PubChem CID 175435300) has the molecular formula C22H18N6 and a molecular weight of 366.43 g/mol. Its IUPAC name is pyridine;2-pyrimidin-2-ylpyrimidine;quinoline.

Molecular Properties

Compound Namepyridine;2-pyrimidin-2-ylpyrimidine;quinoline
PubChem CID175435300
Molecular FormulaC22H18N6
Molecular Weight366.43 g/mol
Exact Mass366.16
IUPAC Namepyridine;2-pyrimidin-2-ylpyrimidine;quinoline
SMILESc1ccc2ncccc2c1.c1ccncc1.c1cnc(-c2ncccn2)nc1
InChIInChI=1S/C9H7N.C8H6N4.C5H5N/c1-2-6-9-8(4-1)5-3-7-10-9;1-3-9-7(10-4-1)8-11-5-2-6-12-8;1-2-4-6-5-3-1/h1-7H;1-6H;1-5H
InChIKeyADLLPESVWPLIFH-UHFFFAOYSA-N
XLogP4.25
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze pyridine;2-pyrimidin-2-ylpyrimidine;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 pyridine;2-pyrimidin-2-ylpyrimidine;quinoline?
The IUPAC name of pyridine;2-pyrimidin-2-ylpyrimidine;quinoline (CID 175435300) is pyridine;2-pyrimidin-2-ylpyrimidine;quinoline.
What is the SMILES notation for pyridine;2-pyrimidin-2-ylpyrimidine;quinoline?
The canonical SMILES for pyridine;2-pyrimidin-2-ylpyrimidine;quinoline is c1ccc2ncccc2c1.c1ccncc1.c1cnc(-c2ncccn2)nc1.
What is the InChIKey of pyridine;2-pyrimidin-2-ylpyrimidine;quinoline?
The InChIKey is ADLLPESVWPLIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C8H6N4.C5H5N/c1-2-6-9-8(4-1)5-3-7-10-9;1-3-9-7(10-4-1)8-11-5-2-6-12-8;1-2-4-6-5-3-1/h1-7H;1-6H;1-5H.
What are the key properties of pyridine;2-pyrimidin-2-ylpyrimidine;quinoline?
pyridine;2-pyrimidin-2-ylpyrimidine;quinoline has a molecular weight of 366.43 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine;2-pyrimidin-2-ylpyrimidine;quinoline is sourced from PubChem (CID 175435300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).