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

C27H26N6O2 — CID 45255192

IUPAC3-methyl-1-(1-propanoylpiperidin-4-yl)-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCCC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1
InChIInChI=1S/C27H26N6O2/c1-3-24(34)32-12-10-19(11-13-32)33-26-23(31(2)27(33)35)16-29-22-9-8-21(30-25(22)26)18-14-17-6-4-5-7-20(17)28-15-18/h4-9,14-16,19H,3,10-13H2,1-2H3
InChIKeyGSPVKUMDTYLXJU-UHFFFAOYSA-N
MW466.55 g/mol
LogP4.07
Rot. Bonds3

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

3-methyl-1-(1-propanoylpiperidin-4-yl)-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 45255192) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is 3-methyl-1-(1-propanoylpiperidin-4-yl)-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-(1-propanoylpiperidin-4-yl)-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID45255192
Molecular FormulaC27H26N6O2
Molecular Weight466.55 g/mol
Exact Mass466.21
IUPAC Name3-methyl-1-(1-propanoylpiperidin-4-yl)-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCCC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1
InChIInChI=1S/C27H26N6O2/c1-3-24(34)32-12-10-19(11-13-32)33-26-23(31(2)27(33)35)16-29-22-9-8-21(30-25(22)26)18-14-17-6-4-5-7-20(17)28-15-18/h4-9,14-16,19H,3,10-13H2,1-2H3
InChIKeyGSPVKUMDTYLXJU-UHFFFAOYSA-N
XLogP4.07
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-propanoylpiperidin-4-yl)-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 3-methyl-1-(1-propanoylpiperidin-4-yl)-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one (CID 45255192) is 3-methyl-1-(1-propanoylpiperidin-4-yl)-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 3-methyl-1-(1-propanoylpiperidin-4-yl)-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 3-methyl-1-(1-propanoylpiperidin-4-yl)-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one is CCC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1.
What is the InChIKey of 3-methyl-1-(1-propanoylpiperidin-4-yl)-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is GSPVKUMDTYLXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2/c1-3-24(34)32-12-10-19(11-13-32)33-26-23(31(2)27(33)35)16-29-22-9-8-21(30-25(22)26)18-14-17-6-4-5-7-20(17)28-15-18/h4-9,14-16,19H,3,10-13H2,1-2H3.
What are the key properties of 3-methyl-1-(1-propanoylpiperidin-4-yl)-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one?
3-methyl-1-(1-propanoylpiperidin-4-yl)-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 466.55 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-propanoylpiperidin-4-yl)-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 45255192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).