9-cyclohexyl-1H-imidazo[4,5-h][1,6]naphthyridin-3-ium-6-one

C15H17N4O+ — CID 123836743

IUPAC9-cyclohexyl-1H-imidazo[4,5-h][1,6]naphthyridin-3-ium-6-one
SMILESO=c1ccn(C2CCCCC2)c2c1cnc1[nH+]c[nH]c12
InChIInChI=1S/C15H16N4O/c20-12-6-7-19(10-4-2-1-3-5-10)14-11(12)8-16-15-13(14)17-9-18-15/h6-10H,1-5H2,(H,16,17,18)/p+1
InChIKeyCSICGVKNEQMHCS-UHFFFAOYSA-O
MW269.33 g/mol
LogP2.20
Rot. Bonds1

About 9-cyclohexyl-1H-imidazo[4,5-h][1,6]naphthyridin-3-ium-6-one

9-cyclohexyl-1H-imidazo[4,5-h][1,6]naphthyridin-3-ium-6-one (PubChem CID 123836743) has the molecular formula C15H17N4O+ and a molecular weight of 269.33 g/mol. Its IUPAC name is 9-cyclohexyl-1H-imidazo[4,5-h][1,6]naphthyridin-3-ium-6-one.

Molecular Properties

Compound Name9-cyclohexyl-1H-imidazo[4,5-h][1,6]naphthyridin-3-ium-6-one
PubChem CID123836743
Molecular FormulaC15H17N4O+
Molecular Weight269.33 g/mol
Exact Mass269.14
IUPAC Name9-cyclohexyl-1H-imidazo[4,5-h][1,6]naphthyridin-3-ium-6-one
SMILESO=c1ccn(C2CCCCC2)c2c1cnc1[nH+]c[nH]c12
InChIInChI=1S/C15H16N4O/c20-12-6-7-19(10-4-2-1-3-5-10)14-11(12)8-16-15-13(14)17-9-18-15/h6-10H,1-5H2,(H,16,17,18)/p+1
InChIKeyCSICGVKNEQMHCS-UHFFFAOYSA-O
XLogP2.20
TPSA64.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-cyclohexyl-1H-imidazo[4,5-h][1,6]naphthyridin-3-ium-6-one?
The IUPAC name of 9-cyclohexyl-1H-imidazo[4,5-h][1,6]naphthyridin-3-ium-6-one (CID 123836743) is 9-cyclohexyl-1H-imidazo[4,5-h][1,6]naphthyridin-3-ium-6-one.
What is the SMILES notation for 9-cyclohexyl-1H-imidazo[4,5-h][1,6]naphthyridin-3-ium-6-one?
The canonical SMILES for 9-cyclohexyl-1H-imidazo[4,5-h][1,6]naphthyridin-3-ium-6-one is O=c1ccn(C2CCCCC2)c2c1cnc1[nH+]c[nH]c12.
What is the InChIKey of 9-cyclohexyl-1H-imidazo[4,5-h][1,6]naphthyridin-3-ium-6-one?
The InChIKey is CSICGVKNEQMHCS-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H16N4O/c20-12-6-7-19(10-4-2-1-3-5-10)14-11(12)8-16-15-13(14)17-9-18-15/h6-10H,1-5H2,(H,16,17,18)/p+1.
What are the key properties of 9-cyclohexyl-1H-imidazo[4,5-h][1,6]naphthyridin-3-ium-6-one?
9-cyclohexyl-1H-imidazo[4,5-h][1,6]naphthyridin-3-ium-6-one has a molecular weight of 269.33 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexyl-1H-imidazo[4,5-h][1,6]naphthyridin-3-ium-6-one is sourced from PubChem (CID 123836743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).