2-[(6-bromoquinolin-4-yl)amino]-N-ethylacetamide

C13H14BrN3O — CID 86802927

IUPAC2-[(6-bromoquinolin-4-yl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1ccnc2ccc(Br)cc12
InChIInChI=1S/C13H14BrN3O/c1-2-15-13(18)8-17-12-5-6-16-11-4-3-9(14)7-10(11)12/h3-7H,2,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyHDTBTFCEZBMZLO-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.55
Rot. Bonds4

About 2-[(6-bromoquinolin-4-yl)amino]-N-ethylacetamide

2-[(6-bromoquinolin-4-yl)amino]-N-ethylacetamide (PubChem CID 86802927) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-[(6-bromoquinolin-4-yl)amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(6-bromoquinolin-4-yl)amino]-N-ethylacetamide
PubChem CID86802927
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name2-[(6-bromoquinolin-4-yl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1ccnc2ccc(Br)cc12
InChIInChI=1S/C13H14BrN3O/c1-2-15-13(18)8-17-12-5-6-16-11-4-3-9(14)7-10(11)12/h3-7H,2,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyHDTBTFCEZBMZLO-UHFFFAOYSA-N
XLogP2.55
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromoquinolin-4-yl)amino]-N-ethylacetamide?
The IUPAC name of 2-[(6-bromoquinolin-4-yl)amino]-N-ethylacetamide (CID 86802927) is 2-[(6-bromoquinolin-4-yl)amino]-N-ethylacetamide.
What is the SMILES notation for 2-[(6-bromoquinolin-4-yl)amino]-N-ethylacetamide?
The canonical SMILES for 2-[(6-bromoquinolin-4-yl)amino]-N-ethylacetamide is CCNC(=O)CNc1ccnc2ccc(Br)cc12.
What is the InChIKey of 2-[(6-bromoquinolin-4-yl)amino]-N-ethylacetamide?
The InChIKey is HDTBTFCEZBMZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-2-15-13(18)8-17-12-5-6-16-11-4-3-9(14)7-10(11)12/h3-7H,2,8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-[(6-bromoquinolin-4-yl)amino]-N-ethylacetamide?
2-[(6-bromoquinolin-4-yl)amino]-N-ethylacetamide has a molecular weight of 308.18 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromoquinolin-4-yl)amino]-N-ethylacetamide is sourced from PubChem (CID 86802927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).