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

C27H26N6O3 — CID 58379596

IUPACethyl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1
InChIInChI=1S/C27H26N6O3/c1-3-36-27(35)32-12-10-19(11-13-32)33-25-23(31(2)26(33)34)16-29-22-9-8-21(30-24(22)25)18-14-17-6-4-5-7-20(17)28-15-18/h4-9,14-16,19H,3,10-13H2,1-2H3
InChIKeyGNXZUOBKPLODBE-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.29
Rot. Bonds3

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

ethyl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate (PubChem CID 58379596) has the molecular formula C27H26N6O3 and a molecular weight of 482.54 g/mol. Its IUPAC name is ethyl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate
PubChem CID58379596
Molecular FormulaC27H26N6O3
Molecular Weight482.54 g/mol
Exact Mass482.21
IUPAC Nameethyl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1
InChIInChI=1S/C27H26N6O3/c1-3-36-27(35)32-12-10-19(11-13-32)33-25-23(31(2)26(33)34)16-29-22-9-8-21(30-24(22)25)18-14-17-6-4-5-7-20(17)28-15-18/h4-9,14-16,19H,3,10-13H2,1-2H3
InChIKeyGNXZUOBKPLODBE-UHFFFAOYSA-N
XLogP4.29
TPSA95.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate (CID 58379596) is ethyl 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 ethyl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate is CCOC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1.
What is the InChIKey of ethyl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate?
The InChIKey is GNXZUOBKPLODBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O3/c1-3-36-27(35)32-12-10-19(11-13-32)33-25-23(31(2)26(33)34)16-29-22-9-8-21(30-24(22)25)18-14-17-6-4-5-7-20(17)28-15-18/h4-9,14-16,19H,3,10-13H2,1-2H3.
What are the key properties of ethyl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate?
ethyl 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 482.54 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 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 58379596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).