1-(1-ethylpiperidin-4-yl)-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one

C26H26N6O — CID 45254980

IUPAC1-(1-ethylpiperidin-4-yl)-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCCN1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1
InChIInChI=1S/C26H26N6O/c1-3-31-12-10-19(11-13-31)32-25-23(30(2)26(32)33)16-28-22-9-8-21(29-24(22)25)18-14-17-6-4-5-7-20(17)27-15-18/h4-9,14-16,19H,3,10-13H2,1-2H3
InChIKeyNQJKIFZOBXFCRQ-UHFFFAOYSA-N
MW438.54 g/mol
LogP4.16
Rot. Bonds3

About 1-(1-ethylpiperidin-4-yl)-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one

1-(1-ethylpiperidin-4-yl)-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 45254980) has the molecular formula C26H26N6O and a molecular weight of 438.54 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID45254980
Molecular FormulaC26H26N6O
Molecular Weight438.54 g/mol
Exact Mass438.22
IUPAC Name1-(1-ethylpiperidin-4-yl)-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCCN1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1
InChIInChI=1S/C26H26N6O/c1-3-31-12-10-19(11-13-31)32-25-23(30(2)26(32)33)16-28-22-9-8-21(29-24(22)25)18-14-17-6-4-5-7-20(17)27-15-18/h4-9,14-16,19H,3,10-13H2,1-2H3
InChIKeyNQJKIFZOBXFCRQ-UHFFFAOYSA-N
XLogP4.16
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one (CID 45254980) is 1-(1-ethylpiperidin-4-yl)-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one is CCN1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is NQJKIFZOBXFCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O/c1-3-31-12-10-19(11-13-31)32-25-23(30(2)26(32)33)16-28-22-9-8-21(29-24(22)25)18-14-17-6-4-5-7-20(17)27-15-18/h4-9,14-16,19H,3,10-13H2,1-2H3.
What are the key properties of 1-(1-ethylpiperidin-4-yl)-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one?
1-(1-ethylpiperidin-4-yl)-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 438.54 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 45254980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).