4-bromo-1-ethyl-N-(3-quinolin-8-yloxypropyl)pyrrole-2-carboxamide

C19H20BrN3O2 — CID 56585571

IUPAC4-bromo-1-ethyl-N-(3-quinolin-8-yloxypropyl)pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NCCCOc1cccc2cccnc12
InChIInChI=1S/C19H20BrN3O2/c1-2-23-13-15(20)12-16(23)19(24)22-10-5-11-25-17-8-3-6-14-7-4-9-21-18(14)17/h3-4,6-9,12-13H,2,5,10-11H2,1H3,(H,22,24)
InChIKeyLRJBMRPMZVVWCT-UHFFFAOYSA-N
MW402.29 g/mol
LogP4.02
Rot. Bonds7

About 4-bromo-1-ethyl-N-(3-quinolin-8-yloxypropyl)pyrrole-2-carboxamide

4-bromo-1-ethyl-N-(3-quinolin-8-yloxypropyl)pyrrole-2-carboxamide (PubChem CID 56585571) has the molecular formula C19H20BrN3O2 and a molecular weight of 402.29 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-(3-quinolin-8-yloxypropyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-(3-quinolin-8-yloxypropyl)pyrrole-2-carboxamide
PubChem CID56585571
Molecular FormulaC19H20BrN3O2
Molecular Weight402.29 g/mol
Exact Mass401.07
IUPAC Name4-bromo-1-ethyl-N-(3-quinolin-8-yloxypropyl)pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NCCCOc1cccc2cccnc12
InChIInChI=1S/C19H20BrN3O2/c1-2-23-13-15(20)12-16(23)19(24)22-10-5-11-25-17-8-3-6-14-7-4-9-21-18(14)17/h3-4,6-9,12-13H,2,5,10-11H2,1H3,(H,22,24)
InChIKeyLRJBMRPMZVVWCT-UHFFFAOYSA-N
XLogP4.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1-ethyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
CID 62378773
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
3-ethoxy-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56534641
4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535258
1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975958
2-(4-bromophenoxy)-N-(3-quinolin-8-yloxypropyl)acetamide
CID 56535216
2-methyl-5-methylsulfanyl-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535021
5-methoxy-1-methyl-N-(2-quinolin-8-yloxyethyl)indole-2-carboxamide
CID 70736168
5-methyl-1-(3-methylphenyl)-N-(3-quinolin-8-yloxypropyl)triazole-4-carboxamide
CID 56585569
N-(3-ethoxypropyl)-2-quinolin-8-yloxyacetamide
CID 71408811
N-(5-amino-5-oxopentyl)-4-bromo-1-ethylpyrrole-2-carboxamide
CID 113347877
3-(2,4-difluorophenyl)-1-methyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-carboxamide
CID 86949236

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-(3-quinolin-8-yloxypropyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-(3-quinolin-8-yloxypropyl)pyrrole-2-carboxamide (CID 56585571) is 4-bromo-1-ethyl-N-(3-quinolin-8-yloxypropyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-(3-quinolin-8-yloxypropyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-(3-quinolin-8-yloxypropyl)pyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)NCCCOc1cccc2cccnc12.
What is the InChIKey of 4-bromo-1-ethyl-N-(3-quinolin-8-yloxypropyl)pyrrole-2-carboxamide?
The InChIKey is LRJBMRPMZVVWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O2/c1-2-23-13-15(20)12-16(23)19(24)22-10-5-11-25-17-8-3-6-14-7-4-9-21-18(14)17/h3-4,6-9,12-13H,2,5,10-11H2,1H3,(H,22,24).
What are the key properties of 4-bromo-1-ethyl-N-(3-quinolin-8-yloxypropyl)pyrrole-2-carboxamide?
4-bromo-1-ethyl-N-(3-quinolin-8-yloxypropyl)pyrrole-2-carboxamide has a molecular weight of 402.29 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-(3-quinolin-8-yloxypropyl)pyrrole-2-carboxamide is sourced from PubChem (CID 56585571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).