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

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Related Compounds

Dactolisib
CID 11977753
PF-04979064
CID 46866705
1H-Pyrrolo(3,2-c)pyridine-1-acetamide, 4-(2-methyl-4-pyridinyl)-N-(5-(2-pyrazinyl)-2-pyridinyl)-
CID 121280694
1-[1-(2-Hydroxyacetyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379507
1-(1-acetylpiperidin-4-yl)-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379595
1-[1-(2-Methoxyacetyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379663
3-Methyl-1-(oxan-4-yl)-8-pyridin-3-yl-imidazo[4,5-c]quinolin-2-one
CID 134163712
Infractopicrin
CID 46228995
2-Methyl-2-[4-(3-methyl-2-oxo-8-pyridin-4-yl-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)-phenyl]-propionitrile
CID 11957743
4-[2,3-Dihydro-3-methyl-2-oxo-8-(3-pyridinyl)-1H-imidazo[4,5-c]quinolin-1-yl]-I+/-,I+/--dimethylbenzeneacetonitrile
CID 11977649
3-Methyl-8-pyridin-3-yl-1-(3-trifluoromethyl-phenyl)-1,3-dihydro-imidazo[4,5-c]quinolin-2-one
CID 11978213
1-[4-(3-Methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]cyclopropane-1-carbonitrile
CID 11979157

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).