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

C27H27N7O2 — CID 45255195

IUPACN-ethyl-4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1
InChIInChI=1S/C27H27N7O2/c1-3-28-26(35)33-12-10-19(11-13-33)34-25-23(32(2)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/h4-9,14-16,19H,3,10-13H2,1-2H3,(H,28,35)
InChIKeyIJYRWCXFZVEZEO-UHFFFAOYSA-N
MW481.56 g/mol
LogP3.86
Rot. Bonds3

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

N-ethyl-4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxamide (PubChem CID 45255195) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-ethyl-4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxamide
PubChem CID45255195
Molecular FormulaC27H27N7O2
Molecular Weight481.56 g/mol
Exact Mass481.22
IUPAC NameN-ethyl-4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1
InChIInChI=1S/C27H27N7O2/c1-3-28-26(35)33-12-10-19(11-13-33)34-25-23(32(2)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/h4-9,14-16,19H,3,10-13H2,1-2H3,(H,28,35)
InChIKeyIJYRWCXFZVEZEO-UHFFFAOYSA-N
XLogP3.86
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-ethyl-4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxamide (CID 45255195) is N-ethyl-4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxamide is CCNC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cnc6ccccc6c5)nc4c32)CC1.
What is the InChIKey of N-ethyl-4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxamide?
The InChIKey is IJYRWCXFZVEZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O2/c1-3-28-26(35)33-12-10-19(11-13-33)34-25-23(32(2)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/h4-9,14-16,19H,3,10-13H2,1-2H3,(H,28,35).
What are the key properties of N-ethyl-4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxamide?
N-ethyl-4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 45255195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).