4-chloro-8-methoxy-2-methylquinoline-5-carboximidamide

C12H12ClN3O — CID 82573526

IUPAC4-chloro-8-methoxy-2-methylquinoline-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)c2nc(C)cc(Cl)c12
InChIInChI=1S/C12H12ClN3O/c1-6-5-8(13)10-7(12(14)15)3-4-9(17-2)11(10)16-6/h3-5H,1-2H3,(H3,14,15)
InChIKeyZDOBIDCUJYRSBC-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.49
Rot. Bonds2

About 4-chloro-8-methoxy-2-methylquinoline-5-carboximidamide

4-chloro-8-methoxy-2-methylquinoline-5-carboximidamide (PubChem CID 82573526) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 4-chloro-8-methoxy-2-methylquinoline-5-carboximidamide.

Molecular Properties

Compound Name4-chloro-8-methoxy-2-methylquinoline-5-carboximidamide
PubChem CID82573526
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name4-chloro-8-methoxy-2-methylquinoline-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)c2nc(C)cc(Cl)c12
InChIInChI=1S/C12H12ClN3O/c1-6-5-8(13)10-7(12(14)15)3-4-9(17-2)11(10)16-6/h3-5H,1-2H3,(H3,14,15)
InChIKeyZDOBIDCUJYRSBC-UHFFFAOYSA-N
XLogP2.49
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-chloro-2-methylquinoline-8-carboximidamide
CID 82573524
2-(4-chloro-8-methoxy-2-methylquinolin-5-yl)ethanamine
CID 82575640
8-methoxy-2,4-dimethylquinoline-5-carboxamide
CID 82573973
4-chloro-2-methoxybenzenecarboximidamide
CID 63093709
6-methoxy-2,4-dimethylquinoline-5-carboximidamide
CID 82573423
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
2-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 103174828
4-methoxy-2,6-dimethylpyridine-3-carboximidamide
CID 81052054
4-chloro-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 63093366
2,4-dimethoxybenzenecarboximidamide
CID 4138242
8-methoxy-2,5-dimethylquinolin-4-amine
CID 62202032
(8-methoxy-2,5-dimethylquinolin-4-yl)hydrazine
CID 62252641

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-methoxy-2-methylquinoline-5-carboximidamide?
The IUPAC name of 4-chloro-8-methoxy-2-methylquinoline-5-carboximidamide (CID 82573526) is 4-chloro-8-methoxy-2-methylquinoline-5-carboximidamide.
What is the SMILES notation for 4-chloro-8-methoxy-2-methylquinoline-5-carboximidamide?
The canonical SMILES for 4-chloro-8-methoxy-2-methylquinoline-5-carboximidamide is [H]/N=C(\N)c1ccc(OC)c2nc(C)cc(Cl)c12.
What is the InChIKey of 4-chloro-8-methoxy-2-methylquinoline-5-carboximidamide?
The InChIKey is ZDOBIDCUJYRSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-6-5-8(13)10-7(12(14)15)3-4-9(17-2)11(10)16-6/h3-5H,1-2H3,(H3,14,15).
What are the key properties of 4-chloro-8-methoxy-2-methylquinoline-5-carboximidamide?
4-chloro-8-methoxy-2-methylquinoline-5-carboximidamide has a molecular weight of 249.70 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-methoxy-2-methylquinoline-5-carboximidamide is sourced from PubChem (CID 82573526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).