N-(2-bromoethyl)-N-methylquinoline-6-carboxamide

C13H13BrN2O — CID 80658342

IUPACN-(2-bromoethyl)-N-methylquinoline-6-carboxamide
SMILESCN(CCBr)C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C13H13BrN2O/c1-16(8-6-14)13(17)11-4-5-12-10(9-11)3-2-7-15-12/h2-5,7,9H,6,8H2,1H3
InChIKeyIZQXYXHWAUQRQK-UHFFFAOYSA-N
MW293.16 g/mol
LogP2.70
Rot. Bonds3

About N-(2-bromoethyl)-N-methylquinoline-6-carboxamide

N-(2-bromoethyl)-N-methylquinoline-6-carboxamide (PubChem CID 80658342) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-methylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-methylquinoline-6-carboxamide
PubChem CID80658342
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC NameN-(2-bromoethyl)-N-methylquinoline-6-carboxamide
SMILESCN(CCBr)C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C13H13BrN2O/c1-16(8-6-14)13(17)11-4-5-12-10(9-11)3-2-7-15-12/h2-5,7,9H,6,8H2,1H3
InChIKeyIZQXYXHWAUQRQK-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-(5-chloropentyl)-N-methylquinoline-6-carboxamide
CID 107205485
ethane;quinoline-6-carboxylic acid
CID 91364452
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoline-6-carboxamide
CID 166370943
2-[ethyl(quinoline-6-carbonyl)amino]acetic acid
CID 62849704
N,4-dimethyl-N-(quinolin-6-ylmethyl)benzamide
CID 121451784
N-(2-bromoethyl)-N-methylquinoline-8-carboxamide
CID 80659623
N-(3-hydroxypropyl)-N-propan-2-ylquinoline-6-carboxamide
CID 62875387
N-(2-chloroethyl)-N-cyclopropylquinoline-6-carboxamide
CID 63394792
N-(2-bromoethyl)-3-fluoro-N-methylbenzamide
CID 80659799
N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylquinoline-6-carboxamide
CID 63223594
3-(dimethylamino)-1-quinolin-6-ylprop-2-en-1-one
CID 155675024
2-(methylamino)-1-quinolin-6-ylethanone
CID 84669481

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-methylquinoline-6-carboxamide?
The IUPAC name of N-(2-bromoethyl)-N-methylquinoline-6-carboxamide (CID 80658342) is N-(2-bromoethyl)-N-methylquinoline-6-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-N-methylquinoline-6-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-N-methylquinoline-6-carboxamide is CN(CCBr)C(=O)c1ccc2ncccc2c1.
What is the InChIKey of N-(2-bromoethyl)-N-methylquinoline-6-carboxamide?
The InChIKey is IZQXYXHWAUQRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-16(8-6-14)13(17)11-4-5-12-10(9-11)3-2-7-15-12/h2-5,7,9H,6,8H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-methylquinoline-6-carboxamide?
N-(2-bromoethyl)-N-methylquinoline-6-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-6-carboxamide is sourced from PubChem (CID 80658342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).