5-[7-(5-methoxythiophen-2-yl)-1,5-naphthyridin-3-yl]thiophene-2-carbaldehyde

C18H12N2O2S2 — CID 122502665

IUPAC5-[7-(5-methoxythiophen-2-yl)-1,5-naphthyridin-3-yl]thiophene-2-carbaldehyde
SMILESCOc1ccc(-c2cnc3cc(-c4ccc(C=O)s4)cnc3c2)s1
InChIInChI=1S/C18H12N2O2S2/c1-22-18-5-4-17(24-18)12-7-15-14(20-9-12)6-11(8-19-15)16-3-2-13(10-21)23-16/h2-10H,1H3
InChIKeyOZINBERTPDONIT-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.91
Rot. Bonds4

About 5-[7-(5-methoxythiophen-2-yl)-1,5-naphthyridin-3-yl]thiophene-2-carbaldehyde

5-[7-(5-methoxythiophen-2-yl)-1,5-naphthyridin-3-yl]thiophene-2-carbaldehyde (PubChem CID 122502665) has the molecular formula C18H12N2O2S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 5-[7-(5-methoxythiophen-2-yl)-1,5-naphthyridin-3-yl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[7-(5-methoxythiophen-2-yl)-1,5-naphthyridin-3-yl]thiophene-2-carbaldehyde
PubChem CID122502665
Molecular FormulaC18H12N2O2S2
Molecular Weight352.44 g/mol
Exact Mass352.03
IUPAC Name5-[7-(5-methoxythiophen-2-yl)-1,5-naphthyridin-3-yl]thiophene-2-carbaldehyde
SMILESCOc1ccc(-c2cnc3cc(-c4ccc(C=O)s4)cnc3c2)s1
InChIInChI=1S/C18H12N2O2S2/c1-22-18-5-4-17(24-18)12-7-15-14(20-9-12)6-11(8-19-15)16-3-2-13(10-21)23-16/h2-10H,1H3
InChIKeyOZINBERTPDONIT-UHFFFAOYSA-N
XLogP4.91
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[7-(5-methoxythiophen-2-yl)-1,5-naphthyridin-3-yl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[7-(5-methoxythiophen-2-yl)-1,5-naphthyridin-3-yl]thiophene-2-carbaldehyde (CID 122502665) is 5-[7-(5-methoxythiophen-2-yl)-1,5-naphthyridin-3-yl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[7-(5-methoxythiophen-2-yl)-1,5-naphthyridin-3-yl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[7-(5-methoxythiophen-2-yl)-1,5-naphthyridin-3-yl]thiophene-2-carbaldehyde is COc1ccc(-c2cnc3cc(-c4ccc(C=O)s4)cnc3c2)s1.
What is the InChIKey of 5-[7-(5-methoxythiophen-2-yl)-1,5-naphthyridin-3-yl]thiophene-2-carbaldehyde?
The InChIKey is OZINBERTPDONIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2S2/c1-22-18-5-4-17(24-18)12-7-15-14(20-9-12)6-11(8-19-15)16-3-2-13(10-21)23-16/h2-10H,1H3.
What are the key properties of 5-[7-(5-methoxythiophen-2-yl)-1,5-naphthyridin-3-yl]thiophene-2-carbaldehyde?
5-[7-(5-methoxythiophen-2-yl)-1,5-naphthyridin-3-yl]thiophene-2-carbaldehyde has a molecular weight of 352.44 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(5-methoxythiophen-2-yl)-1,5-naphthyridin-3-yl]thiophene-2-carbaldehyde is sourced from PubChem (CID 122502665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).