8-bromo-N-methoxy-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide

C12H15BrN2O2 — CID 155102640

IUPAC8-bromo-N-methoxy-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCON(C)C(=O)c1cc(Br)c2c(c1)CCCN2
InChIInChI=1S/C12H15BrN2O2/c1-15(17-2)12(16)9-6-8-4-3-5-14-11(8)10(13)7-9/h6-7,14H,3-5H2,1-2H3
InChIKeyIYBRQZGAGIULNL-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.44
Rot. Bonds2

About 8-bromo-N-methoxy-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide

8-bromo-N-methoxy-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 155102640) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 8-bromo-N-methoxy-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound Name8-bromo-N-methoxy-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID155102640
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name8-bromo-N-methoxy-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCON(C)C(=O)c1cc(Br)c2c(c1)CCCN2
InChIInChI=1S/C12H15BrN2O2/c1-15(17-2)12(16)9-6-8-4-3-5-14-11(8)10(13)7-9/h6-7,14H,3-5H2,1-2H3
InChIKeyIYBRQZGAGIULNL-UHFFFAOYSA-N
XLogP2.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-methoxy-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of 8-bromo-N-methoxy-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 155102640) is 8-bromo-N-methoxy-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for 8-bromo-N-methoxy-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for 8-bromo-N-methoxy-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide is CON(C)C(=O)c1cc(Br)c2c(c1)CCCN2.
What is the InChIKey of 8-bromo-N-methoxy-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is IYBRQZGAGIULNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-15(17-2)12(16)9-6-8-4-3-5-14-11(8)10(13)7-9/h6-7,14H,3-5H2,1-2H3.
What are the key properties of 8-bromo-N-methoxy-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide?
8-bromo-N-methoxy-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 299.17 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-methoxy-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 155102640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).