3-(4-bromobenzoyl)-N-quinolin-3-ylindolizine-1-carboxamide

C25H16BrN3O2 — CID 168677971

IUPAC3-(4-bromobenzoyl)-N-quinolin-3-ylindolizine-1-carboxamide
SMILESO=C(Nc1cnc2ccccc2c1)c1cc(C(=O)c2ccc(Br)cc2)n2ccccc12
InChIInChI=1S/C25H16BrN3O2/c26-18-10-8-16(9-11-18)24(30)23-14-20(22-7-3-4-12-29(22)23)25(31)28-19-13-17-5-1-2-6-21(17)27-15-19/h1-15H,(H,28,31)
InChIKeyJQZHAQTVSBLLBH-UHFFFAOYSA-N
MW470.33 g/mol
LogP5.73
Rot. Bonds4

About 3-(4-bromobenzoyl)-N-quinolin-3-ylindolizine-1-carboxamide

3-(4-bromobenzoyl)-N-quinolin-3-ylindolizine-1-carboxamide (PubChem CID 168677971) has the molecular formula C25H16BrN3O2 and a molecular weight of 470.33 g/mol. Its IUPAC name is 3-(4-bromobenzoyl)-N-quinolin-3-ylindolizine-1-carboxamide.

Molecular Properties

Compound Name3-(4-bromobenzoyl)-N-quinolin-3-ylindolizine-1-carboxamide
PubChem CID168677971
Molecular FormulaC25H16BrN3O2
Molecular Weight470.33 g/mol
Exact Mass469.04
IUPAC Name3-(4-bromobenzoyl)-N-quinolin-3-ylindolizine-1-carboxamide
SMILESO=C(Nc1cnc2ccccc2c1)c1cc(C(=O)c2ccc(Br)cc2)n2ccccc12
InChIInChI=1S/C25H16BrN3O2/c26-18-10-8-16(9-11-18)24(30)23-14-20(22-7-3-4-12-29(22)23)25(31)28-19-13-17-5-1-2-6-21(17)27-15-19/h1-15H,(H,28,31)
InChIKeyJQZHAQTVSBLLBH-UHFFFAOYSA-N
XLogP5.73
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.33
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-quinolin-3-ylbenzamide
CID 3301629
2-(4-fluorobenzoyl)-N-quinolin-3-ylbenzamide
CID 39975789
3-benzoylindolizine-1-carboxylic acid
CID 71356515
4-methyl-N-quinolin-3-ylbenzamide
CID 974969
6-(methylamino)-N-quinolin-3-ylpyridine-3-carboxamide
CID 62808644
2-chloro-5-hydroxy-N-quinolin-3-ylbenzamide
CID 106501765
6-chloro-N-quinolin-3-ylpyridine-3-carboxamide
CID 29330391
2-amino-3-chloro-N-quinolin-3-ylbenzamide
CID 115540223
3-amino-4-fluoro-N-quinolin-3-ylbenzamide
CID 61111864
3-amino-2-methyl-N-quinolin-3-ylbenzamide
CID 61111679
4-(methoxymethyl)-N-quinolin-3-ylbenzamide
CID 18153378
5-amino-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide
CID 115330770

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromobenzoyl)-N-quinolin-3-ylindolizine-1-carboxamide?
The IUPAC name of 3-(4-bromobenzoyl)-N-quinolin-3-ylindolizine-1-carboxamide (CID 168677971) is 3-(4-bromobenzoyl)-N-quinolin-3-ylindolizine-1-carboxamide.
What is the SMILES notation for 3-(4-bromobenzoyl)-N-quinolin-3-ylindolizine-1-carboxamide?
The canonical SMILES for 3-(4-bromobenzoyl)-N-quinolin-3-ylindolizine-1-carboxamide is O=C(Nc1cnc2ccccc2c1)c1cc(C(=O)c2ccc(Br)cc2)n2ccccc12.
What is the InChIKey of 3-(4-bromobenzoyl)-N-quinolin-3-ylindolizine-1-carboxamide?
The InChIKey is JQZHAQTVSBLLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16BrN3O2/c26-18-10-8-16(9-11-18)24(30)23-14-20(22-7-3-4-12-29(22)23)25(31)28-19-13-17-5-1-2-6-21(17)27-15-19/h1-15H,(H,28,31).
What are the key properties of 3-(4-bromobenzoyl)-N-quinolin-3-ylindolizine-1-carboxamide?
3-(4-bromobenzoyl)-N-quinolin-3-ylindolizine-1-carboxamide has a molecular weight of 470.33 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromobenzoyl)-N-quinolin-3-ylindolizine-1-carboxamide is sourced from PubChem (CID 168677971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).