N-(2-bromoethyl)-N-methylquinoline-8-carboxamide

C13H13BrN2O — CID 80659623

IUPACN-(2-bromoethyl)-N-methylquinoline-8-carboxamide
SMILESCN(CCBr)C(=O)c1cccc2cccnc12
InChIInChI=1S/C13H13BrN2O/c1-16(9-7-14)13(17)11-6-2-4-10-5-3-8-15-12(10)11/h2-6,8H,7,9H2,1H3
InChIKeyOGMYZNRGZCOZNZ-UHFFFAOYSA-N
MW293.16 g/mol
LogP2.70
Rot. Bonds3

About N-(2-bromoethyl)-N-methylquinoline-8-carboxamide

N-(2-bromoethyl)-N-methylquinoline-8-carboxamide (PubChem CID 80659623) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-methylquinoline-8-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-methylquinoline-8-carboxamide
PubChem CID80659623
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC NameN-(2-bromoethyl)-N-methylquinoline-8-carboxamide
SMILESCN(CCBr)C(=O)c1cccc2cccnc12
InChIInChI=1S/C13H13BrN2O/c1-16(9-7-14)13(17)11-6-2-4-10-5-3-8-15-12(10)11/h2-6,8H,7,9H2,1H3
InChIKeyOGMYZNRGZCOZNZ-UHFFFAOYSA-N
XLogP2.70
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-propylquinoline-8-carboxamide
CID 80660904
N-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide
CID 115673293
N-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-8-carboxamide
CID 76951123
N-(3-bromopropyl)-N-propan-2-ylquinoline-8-carboxamide
CID 80662580
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylquinoline-8-carboxamide
CID 18119687
N-[2-(4-fluorophenoxy)ethyl]-N-methylquinoline-8-carboxamide
CID 18119617
N-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide
CID 39948382
N-(2-cyanopropyl)-N-methylquinoline-8-carboxamide
CID 47414728
2-methyl-2-[methyl(quinoline-8-carbonyl)amino]propanoic acid
CID 62819546
methyl 2-methyl-3-[methyl(quinoline-8-carbonyl)amino]propanoate
CID 47981172
N-methyl-N-[(4-methylsulfanylphenyl)methyl]quinoline-8-carboxamide
CID 9205470
N-(2-bromoethyl)-N-methylquinoline-6-carboxamide
CID 80658342

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-methylquinoline-8-carboxamide?
The IUPAC name of N-(2-bromoethyl)-N-methylquinoline-8-carboxamide (CID 80659623) is N-(2-bromoethyl)-N-methylquinoline-8-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-N-methylquinoline-8-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-N-methylquinoline-8-carboxamide is CN(CCBr)C(=O)c1cccc2cccnc12.
What is the InChIKey of N-(2-bromoethyl)-N-methylquinoline-8-carboxamide?
The InChIKey is OGMYZNRGZCOZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-16(9-7-14)13(17)11-6-2-4-10-5-3-8-15-12(10)11/h2-6,8H,7,9H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-methylquinoline-8-carboxamide?
N-(2-bromoethyl)-N-methylquinoline-8-carboxamide has a molecular weight of 293.16 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-methylquinoline-8-carboxamide is sourced from PubChem (CID 80659623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).