1-(7-bromoquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide

C16H18BrN3O — CID 133331225

IUPAC1-(7-bromoquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1ccnc2cc(Br)ccc12
InChIInChI=1S/C16H18BrN3O/c1-19(2)16(21)15-4-3-9-20(15)14-7-8-18-13-10-11(17)5-6-12(13)14/h5-8,10,15H,3-4,9H2,1-2H3
InChIKeyYZMNASGEINPKHU-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.05
Rot. Bonds2

About 1-(7-bromoquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide

1-(7-bromoquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 133331225) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 1-(7-bromoquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(7-bromoquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID133331225
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name1-(7-bromoquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1ccnc2cc(Br)ccc12
InChIInChI=1S/C16H18BrN3O/c1-19(2)16(21)15-4-3-9-20(15)14-7-8-18-13-10-11(17)5-6-12(13)14/h5-8,10,15H,3-4,9H2,1-2H3
InChIKeyYZMNASGEINPKHU-UHFFFAOYSA-N
XLogP3.05
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bromoquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(7-bromoquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide (CID 133331225) is 1-(7-bromoquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(7-bromoquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(7-bromoquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1c1ccnc2cc(Br)ccc12.
What is the InChIKey of 1-(7-bromoquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is YZMNASGEINPKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-19(2)16(21)15-4-3-9-20(15)14-7-8-18-13-10-11(17)5-6-12(13)14/h5-8,10,15H,3-4,9H2,1-2H3.
What are the key properties of 1-(7-bromoquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide?
1-(7-bromoquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromoquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 133331225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).