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

C28H28N6O3 — CID 58379653

IUPAC1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1c(=O)n(C2CCN(C(=O)C(C)(C)O)CC2)c2c3nc(-c4cnc5ccccc5c4)ccc3ncc21
InChIInChI=1S/C28H28N6O3/c1-28(2,37)26(35)33-12-10-19(11-13-33)34-25-23(32(3)27(34)36)16-30-22-9-8-21(31-24(22)25)18-14-17-6-4-5-7-20(17)29-15-18/h4-9,14-16,19,37H,10-13H2,1-3H3
InChIKeyYPJJBVBXXWPJQT-UHFFFAOYSA-N
MW496.57 g/mol
LogP3.43
Rot. Bonds3

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

1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379653) has the molecular formula C28H28N6O3 and a molecular weight of 496.57 g/mol. Its IUPAC name is 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379653
Molecular FormulaC28H28N6O3
Molecular Weight496.57 g/mol
Exact Mass496.22
IUPAC Name1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1c(=O)n(C2CCN(C(=O)C(C)(C)O)CC2)c2c3nc(-c4cnc5ccccc5c4)ccc3ncc21
InChIInChI=1S/C28H28N6O3/c1-28(2,37)26(35)33-12-10-19(11-13-33)34-25-23(32(3)27(34)36)16-30-22-9-8-21(31-24(22)25)18-14-17-6-4-5-7-20(17)29-15-18/h4-9,14-16,19,37H,10-13H2,1-3H3
InChIKeyYPJJBVBXXWPJQT-UHFFFAOYSA-N
XLogP3.43
TPSA106.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379653) is 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one is Cn1c(=O)n(C2CCN(C(=O)C(C)(C)O)CC2)c2c3nc(-c4cnc5ccccc5c4)ccc3ncc21.
What is the InChIKey of 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is YPJJBVBXXWPJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O3/c1-28(2,37)26(35)33-12-10-19(11-13-33)34-25-23(32(3)27(34)36)16-30-22-9-8-21(31-24(22)25)18-14-17-6-4-5-7-20(17)29-15-18/h4-9,14-16,19,37H,10-13H2,1-3H3.
What are the key properties of 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one?
1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 496.57 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).