9-bromo-N-(2-morpholin-4-ylethyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide

C22H19BrN4O4 — CID 54770717

IUPAC9-bromo-N-(2-morpholin-4-ylethyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide
SMILESO=C1c2cccnc2C(=O)c2c1c(C(=O)NCCN1CCOCC1)c1ccc(Br)cn21
InChIInChI=1S/C22H19BrN4O4/c23-13-3-4-15-16(22(30)25-6-7-26-8-10-31-11-9-26)17-19(27(15)12-13)21(29)18-14(20(17)28)2-1-5-24-18/h1-5,12H,6-11H2,(H,25,30)
InChIKeyMEMKIAGSIIJIRE-UHFFFAOYSA-N
MW483.32 g/mol
LogP1.93
Rot. Bonds4

About 9-bromo-N-(2-morpholin-4-ylethyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide

9-bromo-N-(2-morpholin-4-ylethyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide (PubChem CID 54770717) has the molecular formula C22H19BrN4O4 and a molecular weight of 483.32 g/mol. Its IUPAC name is 9-bromo-N-(2-morpholin-4-ylethyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide.

Molecular Properties

Compound Name9-bromo-N-(2-morpholin-4-ylethyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide
PubChem CID54770717
Molecular FormulaC22H19BrN4O4
Molecular Weight483.32 g/mol
Exact Mass482.06
IUPAC Name9-bromo-N-(2-morpholin-4-ylethyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide
SMILESO=C1c2cccnc2C(=O)c2c1c(C(=O)NCCN1CCOCC1)c1ccc(Br)cn21
InChIInChI=1S/C22H19BrN4O4/c23-13-3-4-15-16(22(30)25-6-7-26-8-10-31-11-9-26)17-19(27(15)12-13)21(29)18-14(20(17)28)2-1-5-24-18/h1-5,12H,6-11H2,(H,25,30)
InChIKeyMEMKIAGSIIJIRE-UHFFFAOYSA-N
XLogP1.93
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 9-bromo-N-(2-morpholin-4-ylethyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide with MolForge

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Related Compounds

N-(3-morpholin-4-ylpropyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide
CID 122188468
N-(2-morpholin-4-ylethyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide;hydrochloride
CID 71828610
3-chloro-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 71690241
N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 977791
2-methyl-N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide
CID 1179676
6-bromo-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 103875005
N-(2-morpholin-4-ylethyl)quinoline-8-carboxamide
CID 30370396
N-(2-morpholin-4-ylethyl)-1,6-naphthyridine-8-carboxamide
CID 91949050
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
7-bromo-3-(2-morpholin-4-ylethylamino)pyrido[1,2-a]pyrimidin-4-one
CID 118613302
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 51082187
5-bromo-2-hydroxy-N-(2-morpholin-4-ylethyl)benzamide
CID 47100697

Frequently Asked Questions

What is the IUPAC name of 9-bromo-N-(2-morpholin-4-ylethyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide?
The IUPAC name of 9-bromo-N-(2-morpholin-4-ylethyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide (CID 54770717) is 9-bromo-N-(2-morpholin-4-ylethyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide.
What is the SMILES notation for 9-bromo-N-(2-morpholin-4-ylethyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide?
The canonical SMILES for 9-bromo-N-(2-morpholin-4-ylethyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide is O=C1c2cccnc2C(=O)c2c1c(C(=O)NCCN1CCOCC1)c1ccc(Br)cn21.
What is the InChIKey of 9-bromo-N-(2-morpholin-4-ylethyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide?
The InChIKey is MEMKIAGSIIJIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN4O4/c23-13-3-4-15-16(22(30)25-6-7-26-8-10-31-11-9-26)17-19(27(15)12-13)21(29)18-14(20(17)28)2-1-5-24-18/h1-5,12H,6-11H2,(H,25,30).
What are the key properties of 9-bromo-N-(2-morpholin-4-ylethyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide?
9-bromo-N-(2-morpholin-4-ylethyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide has a molecular weight of 483.32 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-N-(2-morpholin-4-ylethyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide is sourced from PubChem (CID 54770717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).