N-[2-[3-(bromomethyl)-8-methylquinolin-2-yl]phenyl]acetamide

C19H17BrN2O — CID 67200027

IUPACN-[2-[3-(bromomethyl)-8-methylquinolin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1nc2c(C)cccc2cc1CBr
InChIInChI=1S/C19H17BrN2O/c1-12-6-5-7-14-10-15(11-20)19(22-18(12)14)16-8-3-4-9-17(16)21-13(2)23/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyDGEVXVPZOUHQTR-UHFFFAOYSA-N
MW369.26 g/mol
LogP5.06
Rot. Bonds3

About N-[2-[3-(bromomethyl)-8-methylquinolin-2-yl]phenyl]acetamide

N-[2-[3-(bromomethyl)-8-methylquinolin-2-yl]phenyl]acetamide (PubChem CID 67200027) has the molecular formula C19H17BrN2O and a molecular weight of 369.26 g/mol. Its IUPAC name is N-[2-[3-(bromomethyl)-8-methylquinolin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(bromomethyl)-8-methylquinolin-2-yl]phenyl]acetamide
PubChem CID67200027
Molecular FormulaC19H17BrN2O
Molecular Weight369.26 g/mol
Exact Mass368.05
IUPAC NameN-[2-[3-(bromomethyl)-8-methylquinolin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1nc2c(C)cccc2cc1CBr
InChIInChI=1S/C19H17BrN2O/c1-12-6-5-7-14-10-15(11-20)19(22-18(12)14)16-8-3-4-9-17(16)21-13(2)23/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyDGEVXVPZOUHQTR-UHFFFAOYSA-N
XLogP5.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.26
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(bromomethyl)-8-methylquinolin-2-yl]phenyl]acetamide?
The IUPAC name of N-[2-[3-(bromomethyl)-8-methylquinolin-2-yl]phenyl]acetamide (CID 67200027) is N-[2-[3-(bromomethyl)-8-methylquinolin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-[3-(bromomethyl)-8-methylquinolin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[2-[3-(bromomethyl)-8-methylquinolin-2-yl]phenyl]acetamide is CC(=O)Nc1ccccc1-c1nc2c(C)cccc2cc1CBr.
What is the InChIKey of N-[2-[3-(bromomethyl)-8-methylquinolin-2-yl]phenyl]acetamide?
The InChIKey is DGEVXVPZOUHQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O/c1-12-6-5-7-14-10-15(11-20)19(22-18(12)14)16-8-3-4-9-17(16)21-13(2)23/h3-10H,11H2,1-2H3,(H,21,23).
What are the key properties of N-[2-[3-(bromomethyl)-8-methylquinolin-2-yl]phenyl]acetamide?
N-[2-[3-(bromomethyl)-8-methylquinolin-2-yl]phenyl]acetamide has a molecular weight of 369.26 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(bromomethyl)-8-methylquinolin-2-yl]phenyl]acetamide is sourced from PubChem (CID 67200027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).