N-(4-bromophenyl)-N-methyl-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide

C18H17BrN2O2 — CID 126457814

IUPACN-(4-bromophenyl)-N-methyl-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
SMILESCN(C(=O)CN1C(=O)CCc2ccccc21)c1ccc(Br)cc1
InChIInChI=1S/C18H17BrN2O2/c1-20(15-9-7-14(19)8-10-15)18(23)12-21-16-5-3-2-4-13(16)6-11-17(21)22/h2-5,7-10H,6,11-12H2,1H3
InChIKeyBYGMQVAJOMFNCM-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.39
Rot. Bonds3

About N-(4-bromophenyl)-N-methyl-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide

N-(4-bromophenyl)-N-methyl-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide (PubChem CID 126457814) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-methyl-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-methyl-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
PubChem CID126457814
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC NameN-(4-bromophenyl)-N-methyl-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
SMILESCN(C(=O)CN1C(=O)CCc2ccccc21)c1ccc(Br)cc1
InChIInChI=1S/C18H17BrN2O2/c1-20(15-9-7-14(19)8-10-15)18(23)12-21-16-5-3-2-4-13(16)6-11-17(21)22/h2-5,7-10H,6,11-12H2,1H3
InChIKeyBYGMQVAJOMFNCM-UHFFFAOYSA-N
XLogP3.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-methyl-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-N-methyl-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide (CID 126457814) is N-(4-bromophenyl)-N-methyl-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-N-methyl-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-N-methyl-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide is CN(C(=O)CN1C(=O)CCc2ccccc21)c1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-N-methyl-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide?
The InChIKey is BYGMQVAJOMFNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-20(15-9-7-14(19)8-10-15)18(23)12-21-16-5-3-2-4-13(16)6-11-17(21)22/h2-5,7-10H,6,11-12H2,1H3.
What are the key properties of N-(4-bromophenyl)-N-methyl-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide?
N-(4-bromophenyl)-N-methyl-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide has a molecular weight of 373.25 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-methyl-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide is sourced from PubChem (CID 126457814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).