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

C13H13BrN4O — CID 56815478

IUPAC1-(8-bromoquinazolin-4-yl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2ncnc3c(Br)cccc23)C1
InChIInChI=1S/C13H13BrN4O/c14-10-3-1-2-9-11(10)16-7-17-13(9)18-5-4-8(6-18)12(15)19/h1-3,7-8H,4-6H2,(H2,15,19)
InChIKeyFTWYAZBMQCDQJX-UHFFFAOYSA-N
MW321.18 g/mol
LogP1.70
Rot. Bonds2

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

1-(8-bromoquinazolin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 56815478) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is 1-(8-bromoquinazolin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(8-bromoquinazolin-4-yl)pyrrolidine-3-carboxamide
PubChem CID56815478
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC Name1-(8-bromoquinazolin-4-yl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2ncnc3c(Br)cccc23)C1
InChIInChI=1S/C13H13BrN4O/c14-10-3-1-2-9-11(10)16-7-17-13(9)18-5-4-8(6-18)12(15)19/h1-3,7-8H,4-6H2,(H2,15,19)
InChIKeyFTWYAZBMQCDQJX-UHFFFAOYSA-N
XLogP1.70
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(8-bromoquinazolin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(8-bromoquinazolin-4-yl)pyrrolidine-3-carboxamide (CID 56815478) is 1-(8-bromoquinazolin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(8-bromoquinazolin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(8-bromoquinazolin-4-yl)pyrrolidine-3-carboxamide is NC(=O)C1CCN(c2ncnc3c(Br)cccc23)C1.
What is the InChIKey of 1-(8-bromoquinazolin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is FTWYAZBMQCDQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O/c14-10-3-1-2-9-11(10)16-7-17-13(9)18-5-4-8(6-18)12(15)19/h1-3,7-8H,4-6H2,(H2,15,19).
What are the key properties of 1-(8-bromoquinazolin-4-yl)pyrrolidine-3-carboxamide?
1-(8-bromoquinazolin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 321.18 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-bromoquinazolin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 56815478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).