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

C26H24N6O3 — CID 45255193

IUPACmethyl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1
InChIInChI=1S/C26H24N6O3/c1-30-22-15-28-21-8-7-20(17-13-16-5-3-4-6-19(16)27-14-17)29-23(21)24(22)32(25(30)33)18-9-11-31(12-10-18)26(34)35-2/h3-8,13-15,18H,9-12H2,1-2H3
InChIKeyBDQITZJMEBESBV-UHFFFAOYSA-N
MW468.52 g/mol
LogP3.90
Rot. Bonds2

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

methyl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate (PubChem CID 45255193) has the molecular formula C26H24N6O3 and a molecular weight of 468.52 g/mol. Its IUPAC name is methyl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate
PubChem CID45255193
Molecular FormulaC26H24N6O3
Molecular Weight468.52 g/mol
Exact Mass468.19
IUPAC Namemethyl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1
InChIInChI=1S/C26H24N6O3/c1-30-22-15-28-21-8-7-20(17-13-16-5-3-4-6-19(16)27-14-17)29-23(21)24(22)32(25(30)33)18-9-11-31(12-10-18)26(34)35-2/h3-8,13-15,18H,9-12H2,1-2H3
InChIKeyBDQITZJMEBESBV-UHFFFAOYSA-N
XLogP3.90
TPSA95.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate (CID 45255193) is methyl 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 methyl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate is COC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1.
What is the InChIKey of methyl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate?
The InChIKey is BDQITZJMEBESBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O3/c1-30-22-15-28-21-8-7-20(17-13-16-5-3-4-6-19(16)27-14-17)29-23(21)24(22)32(25(30)33)18-9-11-31(12-10-18)26(34)35-2/h3-8,13-15,18H,9-12H2,1-2H3.
What are the key properties of methyl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate?
methyl 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 468.52 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 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 45255193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).