4-bromo-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzamide

C18H17BrN2O2 — CID 51160604

IUPAC4-bromo-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCCc2ccccc21)c1ccc(Br)cc1
InChIInChI=1S/C18H17BrN2O2/c19-15-9-7-14(8-10-15)18(23)20-12-17(22)21-11-3-5-13-4-1-2-6-16(13)21/h1-2,4,6-10H,3,5,11-12H2,(H,20,23)
InChIKeyZCQHTIOULNOUKP-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.16
Rot. Bonds3

About 4-bromo-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzamide

4-bromo-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzamide (PubChem CID 51160604) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 4-bromo-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzamide
PubChem CID51160604
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name4-bromo-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCCc2ccccc21)c1ccc(Br)cc1
InChIInChI=1S/C18H17BrN2O2/c19-15-9-7-14(8-10-15)18(23)20-12-17(22)21-11-3-5-13-4-1-2-6-16(13)21/h1-2,4,6-10H,3,5,11-12H2,(H,20,23)
InChIKeyZCQHTIOULNOUKP-UHFFFAOYSA-N
XLogP3.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzamide (CID 51160604) is 4-bromo-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzamide is O=C(NCC(=O)N1CCCc2ccccc21)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzamide?
The InChIKey is ZCQHTIOULNOUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c19-15-9-7-14(8-10-15)18(23)20-12-17(22)21-11-3-5-13-4-1-2-6-16(13)21/h1-2,4,6-10H,3,5,11-12H2,(H,20,23).
What are the key properties of 4-bromo-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzamide?
4-bromo-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzamide has a molecular weight of 373.25 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 51160604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).