(8Z)-6-methyl-2-oxo-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile

C19H15N3OS2 — CID 6477639

IUPAC(8Z)-6-methyl-2-oxo-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile
SMILESCN1C/C(=C/c2cccs2)c2[nH]c(=O)c(C#N)c(-c3cccs3)c2C1
InChIInChI=1S/C19H15N3OS2/c1-22-10-12(8-13-4-2-6-24-13)18-15(11-22)17(16-5-3-7-25-16)14(9-20)19(23)21-18/h2-8H,10-11H2,1H3,(H,21,23)/b12-8-
InChIKeyUVZQXAKBCIKLBZ-WQLSENKSSA-N
MW365.48 g/mol
LogP4.02
Rot. Bonds2

About (8Z)-6-methyl-2-oxo-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile

(8Z)-6-methyl-2-oxo-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile (PubChem CID 6477639) has the molecular formula C19H15N3OS2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (8Z)-6-methyl-2-oxo-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name(8Z)-6-methyl-2-oxo-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile
PubChem CID6477639
Molecular FormulaC19H15N3OS2
Molecular Weight365.48 g/mol
Exact Mass365.07
IUPAC Name(8Z)-6-methyl-2-oxo-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile
SMILESCN1C/C(=C/c2cccs2)c2[nH]c(=O)c(C#N)c(-c3cccs3)c2C1
InChIInChI=1S/C19H15N3OS2/c1-22-10-12(8-13-4-2-6-24-13)18-15(11-22)17(16-5-3-7-25-16)14(9-20)19(23)21-18/h2-8H,10-11H2,1H3,(H,21,23)/b12-8-
InChIKeyUVZQXAKBCIKLBZ-WQLSENKSSA-N
XLogP4.02
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8Z)-6-methyl-2-oxo-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of (8Z)-6-methyl-2-oxo-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile (CID 6477639) is (8Z)-6-methyl-2-oxo-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for (8Z)-6-methyl-2-oxo-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for (8Z)-6-methyl-2-oxo-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile is CN1C/C(=C/c2cccs2)c2[nH]c(=O)c(C#N)c(-c3cccs3)c2C1.
What is the InChIKey of (8Z)-6-methyl-2-oxo-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is UVZQXAKBCIKLBZ-WQLSENKSSA-N. The full InChI is InChI=1S/C19H15N3OS2/c1-22-10-12(8-13-4-2-6-24-13)18-15(11-22)17(16-5-3-7-25-16)14(9-20)19(23)21-18/h2-8H,10-11H2,1H3,(H,21,23)/b12-8-.
What are the key properties of (8Z)-6-methyl-2-oxo-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile?
(8Z)-6-methyl-2-oxo-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 365.48 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-6-methyl-2-oxo-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 6477639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).