5-(methoxymethyl)-2-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine

C14H18N4O3S — CID 97463690

IUPAC5-(methoxymethyl)-2-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine
SMILESCOCc1cncc2c1CCN(S(=O)(=O)c1cn(C)cn1)C2
InChIInChI=1S/C14H18N4O3S/c1-17-8-14(16-10-17)22(19,20)18-4-3-13-11(7-18)5-15-6-12(13)9-21-2/h5-6,8,10H,3-4,7,9H2,1-2H3
InChIKeyPPBIZQXSJZSVOS-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.71
Rot. Bonds4

About 5-(methoxymethyl)-2-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine

5-(methoxymethyl)-2-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 97463690) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 5-(methoxymethyl)-2-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name5-(methoxymethyl)-2-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID97463690
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name5-(methoxymethyl)-2-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine
SMILESCOCc1cncc2c1CCN(S(=O)(=O)c1cn(C)cn1)C2
InChIInChI=1S/C14H18N4O3S/c1-17-8-14(16-10-17)22(19,20)18-4-3-13-11(7-18)5-15-6-12(13)9-21-2/h5-6,8,10H,3-4,7,9H2,1-2H3
InChIKeyPPBIZQXSJZSVOS-UHFFFAOYSA-N
XLogP0.71
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-2-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 5-(methoxymethyl)-2-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine (CID 97463690) is 5-(methoxymethyl)-2-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 5-(methoxymethyl)-2-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 5-(methoxymethyl)-2-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine is COCc1cncc2c1CCN(S(=O)(=O)c1cn(C)cn1)C2.
What is the InChIKey of 5-(methoxymethyl)-2-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is PPBIZQXSJZSVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-17-8-14(16-10-17)22(19,20)18-4-3-13-11(7-18)5-15-6-12(13)9-21-2/h5-6,8,10H,3-4,7,9H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-2-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine?
5-(methoxymethyl)-2-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine has a molecular weight of 322.39 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-2-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 97463690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).