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

C28H28N6O2 — CID 45255196

IUPAC3-methyl-1-[1-(2-methylpropanoyl)piperidin-4-yl]-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCC(C)C(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1
InChIInChI=1S/C28H28N6O2/c1-17(2)27(35)33-12-10-20(11-13-33)34-26-24(32(3)28(34)36)16-30-23-9-8-22(31-25(23)26)19-14-18-6-4-5-7-21(18)29-15-19/h4-9,14-17,20H,10-13H2,1-3H3
InChIKeyYFGOJBFMIXWXSD-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.32
Rot. Bonds3

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

3-methyl-1-[1-(2-methylpropanoyl)piperidin-4-yl]-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 45255196) has the molecular formula C28H28N6O2 and a molecular weight of 480.57 g/mol. Its IUPAC name is 3-methyl-1-[1-(2-methylpropanoyl)piperidin-4-yl]-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-[1-(2-methylpropanoyl)piperidin-4-yl]-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID45255196
Molecular FormulaC28H28N6O2
Molecular Weight480.57 g/mol
Exact Mass480.23
IUPAC Name3-methyl-1-[1-(2-methylpropanoyl)piperidin-4-yl]-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCC(C)C(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1
InChIInChI=1S/C28H28N6O2/c1-17(2)27(35)33-12-10-20(11-13-33)34-26-24(32(3)28(34)36)16-30-23-9-8-22(31-25(23)26)19-14-18-6-4-5-7-21(18)29-15-19/h4-9,14-17,20H,10-13H2,1-3H3
InChIKeyYFGOJBFMIXWXSD-UHFFFAOYSA-N
XLogP4.32
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-methyl-1-[1-(2-methylpropanoyl)piperidin-4-yl]-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-(2-methylpropanoyl)piperidin-4-yl]-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 3-methyl-1-[1-(2-methylpropanoyl)piperidin-4-yl]-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one (CID 45255196) is 3-methyl-1-[1-(2-methylpropanoyl)piperidin-4-yl]-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 3-methyl-1-[1-(2-methylpropanoyl)piperidin-4-yl]-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 3-methyl-1-[1-(2-methylpropanoyl)piperidin-4-yl]-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one is CC(C)C(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1.
What is the InChIKey of 3-methyl-1-[1-(2-methylpropanoyl)piperidin-4-yl]-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is YFGOJBFMIXWXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O2/c1-17(2)27(35)33-12-10-20(11-13-33)34-26-24(32(3)28(34)36)16-30-23-9-8-22(31-25(23)26)19-14-18-6-4-5-7-21(18)29-15-19/h4-9,14-17,20H,10-13H2,1-3H3.
What are the key properties of 3-methyl-1-[1-(2-methylpropanoyl)piperidin-4-yl]-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one?
3-methyl-1-[1-(2-methylpropanoyl)piperidin-4-yl]-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 480.57 g/mol, XLogP of 4.32, 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-(2-methylpropanoyl)piperidin-4-yl]-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 45255196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).