2-(aminomethyl)-6-bromo-1H-quinolin-4-one

C10H9BrN2O — CID 83527588

IUPAC2-(aminomethyl)-6-bromo-1H-quinolin-4-one
SMILESNCc1cc(=O)c2cc(Br)ccc2[nH]1
InChIInChI=1S/C10H9BrN2O/c11-6-1-2-9-8(3-6)10(14)4-7(5-12)13-9/h1-4H,5,12H2,(H,13,14)
InChIKeyNNUQBIURWFJXCE-UHFFFAOYSA-N
MW253.10 g/mol
LogP1.75
Rot. Bonds1

About 2-(aminomethyl)-6-bromo-1H-quinolin-4-one

2-(aminomethyl)-6-bromo-1H-quinolin-4-one (PubChem CID 83527588) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 2-(aminomethyl)-6-bromo-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-6-bromo-1H-quinolin-4-one
PubChem CID83527588
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name2-(aminomethyl)-6-bromo-1H-quinolin-4-one
SMILESNCc1cc(=O)c2cc(Br)ccc2[nH]1
InChIInChI=1S/C10H9BrN2O/c11-6-1-2-9-8(3-6)10(14)4-7(5-12)13-9/h1-4H,5,12H2,(H,13,14)
InChIKeyNNUQBIURWFJXCE-UHFFFAOYSA-N
XLogP1.75
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

8-Bromo-2-methyl-4-quinolinol
CID 843748
3-Bromo-2-methylquinolin-4-OL
CID 886844
6-Bromo-2-methylquinolin-4-ol
CID 2905902
2-Amino-5-bromobenzophenone
CID 99677
3-benzyl-7-bromo-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 6472450
6-bromo-3-pentanoyl-1H-quinolin-4-one
CID 44560520
N-benzyl-2-(6-bromo-2-methyl-4-oxoquinolin-1-yl)acetamide
CID 1418363
Quinolin-4-ol, 3-allyl-5-bromo-2-methyl-
CID 621787
7-Bromo-1,3,4,10-tetrahydro-2H-acridin-9-one
CID 655308
2-(4-Bromo-phenylamino)-1-p-tolyl-ethanone
CID 788612
2-(4-Bromoanilino)-1-phenyl-1-ethanone
CID 804442
6-Bromo-2-methyl-3-propylquinolin-4-ol
CID 826108

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-bromo-1H-quinolin-4-one?
The IUPAC name of 2-(aminomethyl)-6-bromo-1H-quinolin-4-one (CID 83527588) is 2-(aminomethyl)-6-bromo-1H-quinolin-4-one.
What is the SMILES notation for 2-(aminomethyl)-6-bromo-1H-quinolin-4-one?
The canonical SMILES for 2-(aminomethyl)-6-bromo-1H-quinolin-4-one is NCc1cc(=O)c2cc(Br)ccc2[nH]1.
What is the InChIKey of 2-(aminomethyl)-6-bromo-1H-quinolin-4-one?
The InChIKey is NNUQBIURWFJXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c11-6-1-2-9-8(3-6)10(14)4-7(5-12)13-9/h1-4H,5,12H2,(H,13,14).
What are the key properties of 2-(aminomethyl)-6-bromo-1H-quinolin-4-one?
2-(aminomethyl)-6-bromo-1H-quinolin-4-one has a molecular weight of 253.10 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-bromo-1H-quinolin-4-one is sourced from PubChem (CID 83527588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).