propan-2-yl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate

C28H28N6O3 — CID 58379597

IUPACpropan-2-yl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1
InChIInChI=1S/C28H28N6O3/c1-17(2)37-28(36)33-12-10-20(11-13-33)34-26-24(32(3)27(34)35)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
InChIKeyHDHZEDXWHVSJGY-UHFFFAOYSA-N
MW496.57 g/mol
LogP4.68
Rot. Bonds3

About propan-2-yl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate

propan-2-yl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate (PubChem CID 58379597) has the molecular formula C28H28N6O3 and a molecular weight of 496.57 g/mol. Its IUPAC name is propan-2-yl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate
PubChem CID58379597
Molecular FormulaC28H28N6O3
Molecular Weight496.57 g/mol
Exact Mass496.22
IUPAC Namepropan-2-yl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1
InChIInChI=1S/C28H28N6O3/c1-17(2)37-28(36)33-12-10-20(11-13-33)34-26-24(32(3)27(34)35)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
InChIKeyHDHZEDXWHVSJGY-UHFFFAOYSA-N
XLogP4.68
TPSA95.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate (CID 58379597) is propan-2-yl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate is CC(C)OC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1.
What is the InChIKey of propan-2-yl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate?
The InChIKey is HDHZEDXWHVSJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O3/c1-17(2)37-28(36)33-12-10-20(11-13-33)34-26-24(32(3)27(34)35)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 propan-2-yl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate?
propan-2-yl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate has a molecular weight of 496.57 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 58379597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).