ethyl 2-methylsulfanyl-4-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate

C18H16N2O3S — CID 58589568

IUPACethyl 2-methylsulfanyl-4-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(SC)n(-c2ccccc2)c2cnccc2c1=O
InChIInChI=1S/C18H16N2O3S/c1-3-23-18(22)15-16(21)13-9-10-19-11-14(13)20(17(15)24-2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3
InChIKeyIASKKVHQHVUGNI-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.28
Rot. Bonds4

About ethyl 2-methylsulfanyl-4-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate

ethyl 2-methylsulfanyl-4-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate (PubChem CID 58589568) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is ethyl 2-methylsulfanyl-4-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methylsulfanyl-4-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate
PubChem CID58589568
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Nameethyl 2-methylsulfanyl-4-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(SC)n(-c2ccccc2)c2cnccc2c1=O
InChIInChI=1S/C18H16N2O3S/c1-3-23-18(22)15-16(21)13-9-10-19-11-14(13)20(17(15)24-2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3
InChIKeyIASKKVHQHVUGNI-UHFFFAOYSA-N
XLogP3.28
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(3-chloro-4-pyridinyl)-6,7-difluoro-2-methylsulfanyl-4-oxoquinoline-3-carboxylate
CID 21294406
ethyl 2-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate
CID 122512958
ethyl 6,7-difluoro-1-(furan-3-yl)-2-methylsulfanyl-4-oxoquinoline-3-carboxylate
CID 21294424
ethyl 4-methyl-2-methylsulfanyl-6-oxo-1-phenylpyrimidine-5-carboxylate
CID 11483531
ethyl 1-acetyl-2-hydroxypyrrolo[2,3-c]pyridine-3-carboxylate
CID 135780320
ethyl 7-methyl-2-methylsulfinyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 90451326
ethyl 2-(bromomethyl)-1-methylpyrrolo[2,3-c]pyridine-3-carboxylate
CID 170073366
ethyl 2-methyl-3-phenylimidazole-4-carboxylate
CID 134397442
10,20-diphenyl-7,10,17,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 123184243
ethyl 3,5-dimethyl-1-pyridin-3-ylpyrazole-4-carboxylate
CID 171564003
ethyl 6-amino-5-benzyl-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate
CID 13157266
ethyl 2-methyl-3,5-dioxo-4-phenyl-1,2,4-triazine-6-carboxylate
CID 90397805

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylsulfanyl-4-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 2-methylsulfanyl-4-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate (CID 58589568) is ethyl 2-methylsulfanyl-4-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methylsulfanyl-4-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methylsulfanyl-4-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate is CCOC(=O)c1c(SC)n(-c2ccccc2)c2cnccc2c1=O.
What is the InChIKey of ethyl 2-methylsulfanyl-4-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate?
The InChIKey is IASKKVHQHVUGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-3-23-18(22)15-16(21)13-9-10-19-11-14(13)20(17(15)24-2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 2-methylsulfanyl-4-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate?
ethyl 2-methylsulfanyl-4-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate has a molecular weight of 340.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylsulfanyl-4-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate is sourced from PubChem (CID 58589568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).