2-(aminomethyl)-N-(3-bromoquinolin-8-yl)-2-ethylbutanamide

C16H20BrN3O — CID 116784341

IUPAC2-(aminomethyl)-N-(3-bromoquinolin-8-yl)-2-ethylbutanamide
SMILESCCC(CC)(CN)C(=O)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C16H20BrN3O/c1-3-16(4-2,10-18)15(21)20-13-7-5-6-11-8-12(17)9-19-14(11)13/h5-9H,3-4,10,18H2,1-2H3,(H,20,21)
InChIKeyZHRRUDNUXGTSDN-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.70
Rot. Bonds5

About 2-(aminomethyl)-N-(3-bromoquinolin-8-yl)-2-ethylbutanamide

2-(aminomethyl)-N-(3-bromoquinolin-8-yl)-2-ethylbutanamide (PubChem CID 116784341) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-bromoquinolin-8-yl)-2-ethylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-bromoquinolin-8-yl)-2-ethylbutanamide
PubChem CID116784341
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name2-(aminomethyl)-N-(3-bromoquinolin-8-yl)-2-ethylbutanamide
SMILESCCC(CC)(CN)C(=O)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C16H20BrN3O/c1-3-16(4-2,10-18)15(21)20-13-7-5-6-11-8-12(17)9-19-14(11)13/h5-9H,3-4,10,18H2,1-2H3,(H,20,21)
InChIKeyZHRRUDNUXGTSDN-UHFFFAOYSA-N
XLogP3.70
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-bromoquinolin-8-yl)-2-ethylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(3-bromoquinolin-8-yl)-2-ethylbutanamide (CID 116784341) is 2-(aminomethyl)-N-(3-bromoquinolin-8-yl)-2-ethylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-bromoquinolin-8-yl)-2-ethylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-bromoquinolin-8-yl)-2-ethylbutanamide is CCC(CC)(CN)C(=O)Nc1cccc2cc(Br)cnc12.
What is the InChIKey of 2-(aminomethyl)-N-(3-bromoquinolin-8-yl)-2-ethylbutanamide?
The InChIKey is ZHRRUDNUXGTSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-3-16(4-2,10-18)15(21)20-13-7-5-6-11-8-12(17)9-19-14(11)13/h5-9H,3-4,10,18H2,1-2H3,(H,20,21).
What are the key properties of 2-(aminomethyl)-N-(3-bromoquinolin-8-yl)-2-ethylbutanamide?
2-(aminomethyl)-N-(3-bromoquinolin-8-yl)-2-ethylbutanamide has a molecular weight of 350.26 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-bromoquinolin-8-yl)-2-ethylbutanamide is sourced from PubChem (CID 116784341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).