6-methoxy-2,4-dimethylquinoline-5-carboximidamide

C13H15N3O — CID 82573423

IUPAC6-methoxy-2,4-dimethylquinoline-5-carboximidamide
SMILES[H]/N=C(\N)c1c(OC)ccc2nc(C)cc(C)c12
InChIInChI=1S/C13H15N3O/c1-7-6-8(2)16-9-4-5-10(17-3)12(11(7)9)13(14)15/h4-6H,1-3H3,(H3,14,15)
InChIKeySTBRHPCDMVAGQK-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.14
Rot. Bonds2

About 6-methoxy-2,4-dimethylquinoline-5-carboximidamide

6-methoxy-2,4-dimethylquinoline-5-carboximidamide (PubChem CID 82573423) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-methoxy-2,4-dimethylquinoline-5-carboximidamide.

Molecular Properties

Compound Name6-methoxy-2,4-dimethylquinoline-5-carboximidamide
PubChem CID82573423
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name6-methoxy-2,4-dimethylquinoline-5-carboximidamide
SMILES[H]/N=C(\N)c1c(OC)ccc2nc(C)cc(C)c12
InChIInChI=1S/C13H15N3O/c1-7-6-8(2)16-9-4-5-10(17-3)12(11(7)9)13(14)15/h4-6H,1-3H3,(H3,14,15)
InChIKeySTBRHPCDMVAGQK-UHFFFAOYSA-N
XLogP2.14
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.14
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-methoxy-2,6-dimethylpyridine-3-carboximidamide
CID 81052054
2,5,7-trimethylquinoline-4-carboximidamide
CID 82448612
4-chloro-8-methoxy-2-methylquinoline-5-carboximidamide
CID 82573526
2-(2,4-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175206
2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61176359
2-(2-bromo-4-chlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61176543
7-methoxy-2-methylquinoline-4-carboximidamide
CID 82573492
2-(2,5-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 63269866
2-(2,5-dichlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175597
4-methoxy-6-methylpyrimidine-2-carboximidamide;hydrochloride
CID 122460829
8-methoxy-2,4-dimethylquinoline-5-carboxamide
CID 82573973
2-(4-ethyl-2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107665132

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,4-dimethylquinoline-5-carboximidamide?
The IUPAC name of 6-methoxy-2,4-dimethylquinoline-5-carboximidamide (CID 82573423) is 6-methoxy-2,4-dimethylquinoline-5-carboximidamide.
What is the SMILES notation for 6-methoxy-2,4-dimethylquinoline-5-carboximidamide?
The canonical SMILES for 6-methoxy-2,4-dimethylquinoline-5-carboximidamide is [H]/N=C(\N)c1c(OC)ccc2nc(C)cc(C)c12.
What is the InChIKey of 6-methoxy-2,4-dimethylquinoline-5-carboximidamide?
The InChIKey is STBRHPCDMVAGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-7-6-8(2)16-9-4-5-10(17-3)12(11(7)9)13(14)15/h4-6H,1-3H3,(H3,14,15).
What are the key properties of 6-methoxy-2,4-dimethylquinoline-5-carboximidamide?
6-methoxy-2,4-dimethylquinoline-5-carboximidamide has a molecular weight of 229.28 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,4-dimethylquinoline-5-carboximidamide is sourced from PubChem (CID 82573423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).