1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine

C14H18N4O2S — CID 128568465

IUPAC1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine
SMILESCCn1cc(S(=O)(=O)N2CCCc3ncccc32)nc1C
InChIInChI=1S/C14H18N4O2S/c1-3-17-10-14(16-11(17)2)21(19,20)18-9-5-6-12-13(18)7-4-8-15-12/h4,7-8,10H,3,5-6,9H2,1-2H3
InChIKeyNANYXQLVGWLFSB-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.75
Rot. Bonds3

About 1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine

1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine (PubChem CID 128568465) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine.

Molecular Properties

Compound Name1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine
PubChem CID128568465
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine
SMILESCCn1cc(S(=O)(=O)N2CCCc3ncccc32)nc1C
InChIInChI=1S/C14H18N4O2S/c1-3-17-10-14(16-11(17)2)21(19,20)18-9-5-6-12-13(18)7-4-8-15-12/h4,7-8,10H,3,5-6,9H2,1-2H3
InChIKeyNANYXQLVGWLFSB-UHFFFAOYSA-N
XLogP1.75
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine?
The IUPAC name of 1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine (CID 128568465) is 1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine.
What is the SMILES notation for 1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine?
The canonical SMILES for 1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine is CCn1cc(S(=O)(=O)N2CCCc3ncccc32)nc1C.
What is the InChIKey of 1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine?
The InChIKey is NANYXQLVGWLFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-3-17-10-14(16-11(17)2)21(19,20)18-9-5-6-12-13(18)7-4-8-15-12/h4,7-8,10H,3,5-6,9H2,1-2H3.
What are the key properties of 1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine?
1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine has a molecular weight of 306.39 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine is sourced from PubChem (CID 128568465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).