2-(4-bromophenoxy)-N-quinolin-3-ylpropanamide

C18H15BrN2O2 — CID 46525134

IUPAC2-(4-bromophenoxy)-N-quinolin-3-ylpropanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C18H15BrN2O2/c1-12(23-16-8-6-14(19)7-9-16)18(22)21-15-10-13-4-2-3-5-17(13)20-11-15/h2-12H,1H3,(H,21,22)
InChIKeyYOOLGADKIYMABP-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.40
Rot. Bonds4

About 2-(4-bromophenoxy)-N-quinolin-3-ylpropanamide

2-(4-bromophenoxy)-N-quinolin-3-ylpropanamide (PubChem CID 46525134) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-quinolin-3-ylpropanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-quinolin-3-ylpropanamide
PubChem CID46525134
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC Name2-(4-bromophenoxy)-N-quinolin-3-ylpropanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C18H15BrN2O2/c1-12(23-16-8-6-14(19)7-9-16)18(22)21-15-10-13-4-2-3-5-17(13)20-11-15/h2-12H,1H3,(H,21,22)
InChIKeyYOOLGADKIYMABP-UHFFFAOYSA-N
XLogP4.40
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dichlorophenoxy)-N-quinolin-3-ylpropanamide
CID 46453335
2-chloro-N-quinolin-3-ylpropanamide
CID 43346759
4-bromo-N-quinolin-3-ylbenzamide
CID 3301629
2-(4-bromophenoxy)-N-(3,5-dimethoxyphenyl)propanamide
CID 2953803
(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 7899999
N-(4-bromophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789595
(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961
N-(7-methoxyquinolin-3-yl)-2-naphthalen-1-yloxypropanamide
CID 110279383
2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide
CID 18837977
N-(4-anilinophenyl)-2-(4-bromophenoxy)propanamide
CID 2953787
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-quinolin-3-ylpropanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-quinolin-3-ylpropanamide (CID 46525134) is 2-(4-bromophenoxy)-N-quinolin-3-ylpropanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-quinolin-3-ylpropanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-quinolin-3-ylpropanamide is CC(Oc1ccc(Br)cc1)C(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of 2-(4-bromophenoxy)-N-quinolin-3-ylpropanamide?
The InChIKey is YOOLGADKIYMABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c1-12(23-16-8-6-14(19)7-9-16)18(22)21-15-10-13-4-2-3-5-17(13)20-11-15/h2-12H,1H3,(H,21,22).
What are the key properties of 2-(4-bromophenoxy)-N-quinolin-3-ylpropanamide?
2-(4-bromophenoxy)-N-quinolin-3-ylpropanamide has a molecular weight of 371.23 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-quinolin-3-ylpropanamide is sourced from PubChem (CID 46525134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).