2-phenyl-4-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinoline

C22H16N2S — CID 71522060

IUPAC2-phenyl-4-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinoline
SMILESc1ccc(-c2cc(-c3cccnc3)c3c(n2)-c2ccsc2CC3)cc1
InChIInChI=1S/C22H16N2S/c1-2-5-15(6-3-1)20-13-19(16-7-4-11-23-14-16)17-8-9-21-18(10-12-25-21)22(17)24-20/h1-7,10-14H,8-9H2
InChIKeyMAHNXTHVCQXSKY-UHFFFAOYSA-N
MW340.45 g/mol
LogP5.64
Rot. Bonds2

About 2-phenyl-4-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinoline

2-phenyl-4-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinoline (PubChem CID 71522060) has the molecular formula C22H16N2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-phenyl-4-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinoline.

Molecular Properties

Compound Name2-phenyl-4-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinoline
PubChem CID71522060
Molecular FormulaC22H16N2S
Molecular Weight340.45 g/mol
Exact Mass340.10
IUPAC Name2-phenyl-4-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinoline
SMILESc1ccc(-c2cc(-c3cccnc3)c3c(n2)-c2ccsc2CC3)cc1
InChIInChI=1S/C22H16N2S/c1-2-5-15(6-3-1)20-13-19(16-7-4-11-23-14-16)17-8-9-21-18(10-12-25-21)22(17)24-20/h1-7,10-14H,8-9H2
InChIKeyMAHNXTHVCQXSKY-UHFFFAOYSA-N
XLogP5.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.45
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinoline?
The IUPAC name of 2-phenyl-4-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinoline (CID 71522060) is 2-phenyl-4-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinoline.
What is the SMILES notation for 2-phenyl-4-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinoline?
The canonical SMILES for 2-phenyl-4-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinoline is c1ccc(-c2cc(-c3cccnc3)c3c(n2)-c2ccsc2CC3)cc1.
What is the InChIKey of 2-phenyl-4-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinoline?
The InChIKey is MAHNXTHVCQXSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2S/c1-2-5-15(6-3-1)20-13-19(16-7-4-11-23-14-16)17-8-9-21-18(10-12-25-21)22(17)24-20/h1-7,10-14H,8-9H2.
What are the key properties of 2-phenyl-4-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinoline?
2-phenyl-4-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinoline has a molecular weight of 340.45 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinoline is sourced from PubChem (CID 71522060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).