7-(5-methylfuran-2-yl)-6-quinolin-6-yl-3-(1,3-thiazol-2-yl)-1H-1,8-naphthyridin-2-one

C25H16N4O2S — CID 137438088

IUPAC7-(5-methylfuran-2-yl)-6-quinolin-6-yl-3-(1,3-thiazol-2-yl)-1H-1,8-naphthyridin-2-one
SMILESCc1ccc(-c2nc3[nH]c(=O)c(-c4nccs4)cc3cc2-c2ccc3ncccc3c2)o1
InChIInChI=1S/C25H16N4O2S/c1-14-4-7-21(31-14)22-18(15-5-6-20-16(11-15)3-2-8-26-20)12-17-13-19(25-27-9-10-32-25)24(30)29-23(17)28-22/h2-13H,1H3,(H,28,29,30)
InChIKeyCLENKHZWLBOBIN-UHFFFAOYSA-N
MW436.50 g/mol
LogP5.83
Rot. Bonds3

About 7-(5-methylfuran-2-yl)-6-quinolin-6-yl-3-(1,3-thiazol-2-yl)-1H-1,8-naphthyridin-2-one

7-(5-methylfuran-2-yl)-6-quinolin-6-yl-3-(1,3-thiazol-2-yl)-1H-1,8-naphthyridin-2-one (PubChem CID 137438088) has the molecular formula C25H16N4O2S and a molecular weight of 436.50 g/mol. Its IUPAC name is 7-(5-methylfuran-2-yl)-6-quinolin-6-yl-3-(1,3-thiazol-2-yl)-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-(5-methylfuran-2-yl)-6-quinolin-6-yl-3-(1,3-thiazol-2-yl)-1H-1,8-naphthyridin-2-one
PubChem CID137438088
Molecular FormulaC25H16N4O2S
Molecular Weight436.50 g/mol
Exact Mass436.10
IUPAC Name7-(5-methylfuran-2-yl)-6-quinolin-6-yl-3-(1,3-thiazol-2-yl)-1H-1,8-naphthyridin-2-one
SMILESCc1ccc(-c2nc3[nH]c(=O)c(-c4nccs4)cc3cc2-c2ccc3ncccc3c2)o1
InChIInChI=1S/C25H16N4O2S/c1-14-4-7-21(31-14)22-18(15-5-6-20-16(11-15)3-2-8-26-20)12-17-13-19(25-27-9-10-32-25)24(30)29-23(17)28-22/h2-13H,1H3,(H,28,29,30)
InChIKeyCLENKHZWLBOBIN-UHFFFAOYSA-N
XLogP5.83
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.50
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(5-methylfuran-2-yl)-6-quinolin-6-yl-3-(1,3-thiazol-2-yl)-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-(5-methylfuran-2-yl)-6-quinolin-6-yl-3-(1,3-thiazol-2-yl)-1H-1,8-naphthyridin-2-one (CID 137438088) is 7-(5-methylfuran-2-yl)-6-quinolin-6-yl-3-(1,3-thiazol-2-yl)-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-(5-methylfuran-2-yl)-6-quinolin-6-yl-3-(1,3-thiazol-2-yl)-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-(5-methylfuran-2-yl)-6-quinolin-6-yl-3-(1,3-thiazol-2-yl)-1H-1,8-naphthyridin-2-one is Cc1ccc(-c2nc3[nH]c(=O)c(-c4nccs4)cc3cc2-c2ccc3ncccc3c2)o1.
What is the InChIKey of 7-(5-methylfuran-2-yl)-6-quinolin-6-yl-3-(1,3-thiazol-2-yl)-1H-1,8-naphthyridin-2-one?
The InChIKey is CLENKHZWLBOBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N4O2S/c1-14-4-7-21(31-14)22-18(15-5-6-20-16(11-15)3-2-8-26-20)12-17-13-19(25-27-9-10-32-25)24(30)29-23(17)28-22/h2-13H,1H3,(H,28,29,30).
What are the key properties of 7-(5-methylfuran-2-yl)-6-quinolin-6-yl-3-(1,3-thiazol-2-yl)-1H-1,8-naphthyridin-2-one?
7-(5-methylfuran-2-yl)-6-quinolin-6-yl-3-(1,3-thiazol-2-yl)-1H-1,8-naphthyridin-2-one has a molecular weight of 436.50 g/mol, XLogP of 5.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methylfuran-2-yl)-6-quinolin-6-yl-3-(1,3-thiazol-2-yl)-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 137438088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).