6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide

C14H15BrN2O2 — CID 46291474

IUPAC6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide
SMILESCOCCNC(=O)c1cc(C)nc2ccc(Br)cc12
InChIInChI=1S/C14H15BrN2O2/c1-9-7-12(14(18)16-5-6-19-2)11-8-10(15)3-4-13(11)17-9/h3-4,7-8H,5-6H2,1-2H3,(H,16,18)
InChIKeySZFZTBYAEGQSNC-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.68
Rot. Bonds4

About 6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide

6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide (PubChem CID 46291474) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide
PubChem CID46291474
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide
SMILESCOCCNC(=O)c1cc(C)nc2ccc(Br)cc12
InChIInChI=1S/C14H15BrN2O2/c1-9-7-12(14(18)16-5-6-19-2)11-8-10(15)3-4-13(11)17-9/h3-4,7-8H,5-6H2,1-2H3,(H,16,18)
InChIKeySZFZTBYAEGQSNC-UHFFFAOYSA-N
XLogP2.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide
CID 110489408
6-bromo-N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 46291475
6-bromo-2-methyl-N-(2-piperazin-1-ylethyl)quinoline-4-carboxamide
CID 119445544
6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 46291486
N-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 4795719
6-bromo-2-methyl-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 46291470
2,4-dibromo-N-(2-methoxyethyl)benzamide
CID 103882043
N-(1-methoxypropan-2-yl)-2,6-dimethylquinoline-4-carboxamide
CID 18160978
methyl 6-[(2,6-dimethylquinoline-4-carbonyl)amino]hexanoate
CID 31838218
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
7-acetamido-N-(2-methoxyethyl)-2-methylquinoline-5-carboxamide
CID 50842476
6-bromo-2-methyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]quinoline-4-carboxamide
CID 60622514

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide?
The IUPAC name of 6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide (CID 46291474) is 6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for 6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide is COCCNC(=O)c1cc(C)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide?
The InChIKey is SZFZTBYAEGQSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-9-7-12(14(18)16-5-6-19-2)11-8-10(15)3-4-13(11)17-9/h3-4,7-8H,5-6H2,1-2H3,(H,16,18).
What are the key properties of 6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide?
6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide has a molecular weight of 323.19 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 46291474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).