6-bromo-2-methylquinoline-4-carboximidamide

C11H10BrN3 — CID 82449066

IUPAC6-bromo-2-methylquinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc2ccc(Br)cc12
InChIInChI=1S/C11H10BrN3/c1-6-4-9(11(13)14)8-5-7(12)2-3-10(8)15-6/h2-5H,1H3,(H3,13,14)
InChIKeyNUYPVUDDHNMPJB-UHFFFAOYSA-N
MW264.13 g/mol
LogP2.59
Rot. Bonds1

About 6-bromo-2-methylquinoline-4-carboximidamide

6-bromo-2-methylquinoline-4-carboximidamide (PubChem CID 82449066) has the molecular formula C11H10BrN3 and a molecular weight of 264.13 g/mol. Its IUPAC name is 6-bromo-2-methylquinoline-4-carboximidamide.

Molecular Properties

Compound Name6-bromo-2-methylquinoline-4-carboximidamide
PubChem CID82449066
Molecular FormulaC11H10BrN3
Molecular Weight264.13 g/mol
Exact Mass263.01
IUPAC Name6-bromo-2-methylquinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc2ccc(Br)cc12
InChIInChI=1S/C11H10BrN3/c1-6-4-9(11(13)14)8-5-7(12)2-3-10(8)15-6/h2-5H,1H3,(H3,13,14)
InChIKeyNUYPVUDDHNMPJB-UHFFFAOYSA-N
XLogP2.59
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.13
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-2-methylquinoline-4-carboximidamide
CID 82573492
2,5,7-trimethylquinoline-4-carboximidamide
CID 82448612
4-[(6-bromo-2-methylquinoline-4-carbonyl)-methylamino]butanoic acid
CID 119346825
6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide
CID 46291474
2-(4-bromophenoxy)quinoline-4-carboximidamide
CID 63884544
4-bromo-6-methylpyridine-2-carboximidamide;hydrochloride
CID 133054142
4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzenecarboximidamide
CID 114904706
6-methylquinoline-4-carboximidamide
CID 83677821
5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 103174838
[(3R)-3-aminopiperidin-1-yl]-(6-bromo-2-methylquinolin-4-yl)methanone
CID 124593306
6-(4-bromophenyl)-2-methylpyridine-3-carboximidamide
CID 82452729
6-bromo-N,N-diethyl-2-methylquinolin-4-amine
CID 110434316

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methylquinoline-4-carboximidamide?
The IUPAC name of 6-bromo-2-methylquinoline-4-carboximidamide (CID 82449066) is 6-bromo-2-methylquinoline-4-carboximidamide.
What is the SMILES notation for 6-bromo-2-methylquinoline-4-carboximidamide?
The canonical SMILES for 6-bromo-2-methylquinoline-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-methylquinoline-4-carboximidamide?
The InChIKey is NUYPVUDDHNMPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3/c1-6-4-9(11(13)14)8-5-7(12)2-3-10(8)15-6/h2-5H,1H3,(H3,13,14).
What are the key properties of 6-bromo-2-methylquinoline-4-carboximidamide?
6-bromo-2-methylquinoline-4-carboximidamide has a molecular weight of 264.13 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methylquinoline-4-carboximidamide is sourced from PubChem (CID 82449066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).