1-(8-bromoquinolin-4-yl)pyrrolidine-3-carboxamide

C14H14BrN3O — CID 133283487

IUPAC1-(8-bromoquinolin-4-yl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2ccnc3c(Br)cccc23)C1
InChIInChI=1S/C14H14BrN3O/c15-11-3-1-2-10-12(4-6-17-13(10)11)18-7-5-9(8-18)14(16)19/h1-4,6,9H,5,7-8H2,(H2,16,19)
InChIKeyGJLHTXNOKMUNOL-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.31
Rot. Bonds2

About 1-(8-bromoquinolin-4-yl)pyrrolidine-3-carboxamide

1-(8-bromoquinolin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 133283487) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 1-(8-bromoquinolin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(8-bromoquinolin-4-yl)pyrrolidine-3-carboxamide
PubChem CID133283487
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name1-(8-bromoquinolin-4-yl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2ccnc3c(Br)cccc23)C1
InChIInChI=1S/C14H14BrN3O/c15-11-3-1-2-10-12(4-6-17-13(10)11)18-7-5-9(8-18)14(16)19/h1-4,6,9H,5,7-8H2,(H2,16,19)
InChIKeyGJLHTXNOKMUNOL-UHFFFAOYSA-N
XLogP2.31
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(8-bromoquinolin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(8-bromoquinolin-4-yl)pyrrolidine-3-carboxamide (CID 133283487) is 1-(8-bromoquinolin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(8-bromoquinolin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(8-bromoquinolin-4-yl)pyrrolidine-3-carboxamide is NC(=O)C1CCN(c2ccnc3c(Br)cccc23)C1.
What is the InChIKey of 1-(8-bromoquinolin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is GJLHTXNOKMUNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c15-11-3-1-2-10-12(4-6-17-13(10)11)18-7-5-9(8-18)14(16)19/h1-4,6,9H,5,7-8H2,(H2,16,19).
What are the key properties of 1-(8-bromoquinolin-4-yl)pyrrolidine-3-carboxamide?
1-(8-bromoquinolin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 320.19 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-bromoquinolin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 133283487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).