6-methylquinoline-4-carboximidamide

C11H11N3 — CID 83677821

IUPAC6-methylquinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc2ccc(C)cc12
InChIInChI=1S/C11H11N3/c1-7-2-3-10-9(6-7)8(11(12)13)4-5-14-10/h2-6H,1H3,(H3,12,13)
InChIKeyCTFRBLRNUMFTOJ-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.83
Rot. Bonds1

About 6-methylquinoline-4-carboximidamide

6-methylquinoline-4-carboximidamide (PubChem CID 83677821) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 6-methylquinoline-4-carboximidamide.

Molecular Properties

Compound Name6-methylquinoline-4-carboximidamide
PubChem CID83677821
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name6-methylquinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc2ccc(C)cc12
InChIInChI=1S/C11H11N3/c1-7-2-3-10-9(6-7)8(11(12)13)4-5-14-10/h2-6H,1H3,(H3,12,13)
InChIKeyCTFRBLRNUMFTOJ-UHFFFAOYSA-N
XLogP1.83
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.83
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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Frequently Asked Questions

What is the IUPAC name of 6-methylquinoline-4-carboximidamide?
The IUPAC name of 6-methylquinoline-4-carboximidamide (CID 83677821) is 6-methylquinoline-4-carboximidamide.
What is the SMILES notation for 6-methylquinoline-4-carboximidamide?
The canonical SMILES for 6-methylquinoline-4-carboximidamide is [H]/N=C(\N)c1ccnc2ccc(C)cc12.
What is the InChIKey of 6-methylquinoline-4-carboximidamide?
The InChIKey is CTFRBLRNUMFTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-7-2-3-10-9(6-7)8(11(12)13)4-5-14-10/h2-6H,1H3,(H3,12,13).
What are the key properties of 6-methylquinoline-4-carboximidamide?
6-methylquinoline-4-carboximidamide has a molecular weight of 185.23 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylquinoline-4-carboximidamide is sourced from PubChem (CID 83677821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).