6-methyl-4-phenyl-2-pyridin-4-ylquinoline

C21H16N2 — CID 1264779

IUPAC6-methyl-4-phenyl-2-pyridin-4-ylquinoline
SMILESCc1ccc2nc(-c3ccncc3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C21H16N2/c1-15-7-8-20-19(13-15)18(16-5-3-2-4-6-16)14-21(23-20)17-9-11-22-12-10-17/h2-14H,1H3
InChIKeyPPVBXIWNUGYMPA-UHFFFAOYSA-N
MW296.37 g/mol
LogP5.27
Rot. Bonds2

About 6-methyl-4-phenyl-2-pyridin-4-ylquinoline

6-methyl-4-phenyl-2-pyridin-4-ylquinoline (PubChem CID 1264779) has the molecular formula C21H16N2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-methyl-4-phenyl-2-pyridin-4-ylquinoline.

Molecular Properties

Compound Name6-methyl-4-phenyl-2-pyridin-4-ylquinoline
PubChem CID1264779
Molecular FormulaC21H16N2
Molecular Weight296.37 g/mol
Exact Mass296.13
IUPAC Name6-methyl-4-phenyl-2-pyridin-4-ylquinoline
SMILESCc1ccc2nc(-c3ccncc3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C21H16N2/c1-15-7-8-20-19(13-15)18(16-5-3-2-4-6-16)14-21(23-20)17-9-11-22-12-10-17/h2-14H,1H3
InChIKeyPPVBXIWNUGYMPA-UHFFFAOYSA-N
XLogP5.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.37
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-phenyl-2-pyridin-4-ylquinoline?
The IUPAC name of 6-methyl-4-phenyl-2-pyridin-4-ylquinoline (CID 1264779) is 6-methyl-4-phenyl-2-pyridin-4-ylquinoline.
What is the SMILES notation for 6-methyl-4-phenyl-2-pyridin-4-ylquinoline?
The canonical SMILES for 6-methyl-4-phenyl-2-pyridin-4-ylquinoline is Cc1ccc2nc(-c3ccncc3)cc(-c3ccccc3)c2c1.
What is the InChIKey of 6-methyl-4-phenyl-2-pyridin-4-ylquinoline?
The InChIKey is PPVBXIWNUGYMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2/c1-15-7-8-20-19(13-15)18(16-5-3-2-4-6-16)14-21(23-20)17-9-11-22-12-10-17/h2-14H,1H3.
What are the key properties of 6-methyl-4-phenyl-2-pyridin-4-ylquinoline?
6-methyl-4-phenyl-2-pyridin-4-ylquinoline has a molecular weight of 296.37 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-phenyl-2-pyridin-4-ylquinoline is sourced from PubChem (CID 1264779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).