12-methylsulfanyl-7-pyridin-3-ylacenaphthyleno[2,1-g]quinoline

C25H16N2S — CID 15349689

IUPAC12-methylsulfanyl-7-pyridin-3-ylacenaphthyleno[2,1-g]quinoline
SMILESCSc1c2c(c(-c3cccnc3)c3ncccc13)-c1cccc3cccc-2c13
InChIInChI=1S/C25H16N2S/c1-28-25-19-11-5-13-27-24(19)21(16-8-4-12-26-14-16)22-17-9-2-6-15-7-3-10-18(20(15)17)23(22)25/h2-14H,1H3
InChIKeyUXJGSSZYVMZIEU-UHFFFAOYSA-N
MW376.48 g/mol
LogP6.82
Rot. Bonds2

About 12-methylsulfanyl-7-pyridin-3-ylacenaphthyleno[2,1-g]quinoline

12-methylsulfanyl-7-pyridin-3-ylacenaphthyleno[2,1-g]quinoline (PubChem CID 15349689) has the molecular formula C25H16N2S and a molecular weight of 376.48 g/mol. Its IUPAC name is 12-methylsulfanyl-7-pyridin-3-ylacenaphthyleno[2,1-g]quinoline.

Molecular Properties

Compound Name12-methylsulfanyl-7-pyridin-3-ylacenaphthyleno[2,1-g]quinoline
PubChem CID15349689
Molecular FormulaC25H16N2S
Molecular Weight376.48 g/mol
Exact Mass376.10
IUPAC Name12-methylsulfanyl-7-pyridin-3-ylacenaphthyleno[2,1-g]quinoline
SMILESCSc1c2c(c(-c3cccnc3)c3ncccc13)-c1cccc3cccc-2c13
InChIInChI=1S/C25H16N2S/c1-28-25-19-11-5-13-27-24(19)21(16-8-4-12-26-14-16)22-17-9-2-6-15-7-3-10-18(20(15)17)23(22)25/h2-14H,1H3
InChIKeyUXJGSSZYVMZIEU-UHFFFAOYSA-N
XLogP6.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 12-methylsulfanyl-7-pyridin-3-ylacenaphthyleno[2,1-g]quinoline?
The IUPAC name of 12-methylsulfanyl-7-pyridin-3-ylacenaphthyleno[2,1-g]quinoline (CID 15349689) is 12-methylsulfanyl-7-pyridin-3-ylacenaphthyleno[2,1-g]quinoline.
What is the SMILES notation for 12-methylsulfanyl-7-pyridin-3-ylacenaphthyleno[2,1-g]quinoline?
The canonical SMILES for 12-methylsulfanyl-7-pyridin-3-ylacenaphthyleno[2,1-g]quinoline is CSc1c2c(c(-c3cccnc3)c3ncccc13)-c1cccc3cccc-2c13.
What is the InChIKey of 12-methylsulfanyl-7-pyridin-3-ylacenaphthyleno[2,1-g]quinoline?
The InChIKey is UXJGSSZYVMZIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2S/c1-28-25-19-11-5-13-27-24(19)21(16-8-4-12-26-14-16)22-17-9-2-6-15-7-3-10-18(20(15)17)23(22)25/h2-14H,1H3.
What are the key properties of 12-methylsulfanyl-7-pyridin-3-ylacenaphthyleno[2,1-g]quinoline?
12-methylsulfanyl-7-pyridin-3-ylacenaphthyleno[2,1-g]quinoline has a molecular weight of 376.48 g/mol, XLogP of 6.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methylsulfanyl-7-pyridin-3-ylacenaphthyleno[2,1-g]quinoline is sourced from PubChem (CID 15349689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).