2,5,7-trimethylquinoline-4-carboximidamide

C13H15N3 — CID 82448612

IUPAC2,5,7-trimethylquinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc2cc(C)cc(C)c12
InChIInChI=1S/C13H15N3/c1-7-4-8(2)12-10(13(14)15)6-9(3)16-11(12)5-7/h4-6H,1-3H3,(H3,14,15)
InChIKeyGXJOQAYPZWPUHY-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.44
Rot. Bonds1

About 2,5,7-trimethylquinoline-4-carboximidamide

2,5,7-trimethylquinoline-4-carboximidamide (PubChem CID 82448612) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2,5,7-trimethylquinoline-4-carboximidamide.

Molecular Properties

Compound Name2,5,7-trimethylquinoline-4-carboximidamide
PubChem CID82448612
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2,5,7-trimethylquinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc2cc(C)cc(C)c12
InChIInChI=1S/C13H15N3/c1-7-4-8(2)12-10(13(14)15)6-9(3)16-11(12)5-7/h4-6H,1-3H3,(H3,14,15)
InChIKeyGXJOQAYPZWPUHY-UHFFFAOYSA-N
XLogP2.44
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.44
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

6-methoxy-2,4-dimethylquinoline-5-carboximidamide
CID 82573423
6-bromo-2-methylquinoline-4-carboximidamide
CID 82449066
7-methoxy-2-methylquinoline-4-carboximidamide
CID 82573492
6-(2,4-dimethylphenyl)-2-methylpyridine-3-carboximidamide
CID 82452571
6-chloro-4-methylpyridine-2-carboximidamide;hydrochloride
CID 53484967
[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone
CID 95721965
3,5-dimethylpyridine-2-carboximidamide
CID 112703746
(2-ethylpyrrolidin-1-yl)-(2,5,7-trimethylquinolin-4-yl)methanone
CID 46999548
6-methylquinoline-4-carboximidamide
CID 83677821
[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone
CID 56896209
4-bromo-6-methylpyridine-2-carboximidamide;hydrochloride
CID 133054142
4-methoxy-6-methylpyrimidine-2-carboximidamide;hydrochloride
CID 122460829

Frequently Asked Questions

What is the IUPAC name of 2,5,7-trimethylquinoline-4-carboximidamide?
The IUPAC name of 2,5,7-trimethylquinoline-4-carboximidamide (CID 82448612) is 2,5,7-trimethylquinoline-4-carboximidamide.
What is the SMILES notation for 2,5,7-trimethylquinoline-4-carboximidamide?
The canonical SMILES for 2,5,7-trimethylquinoline-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc2cc(C)cc(C)c12.
What is the InChIKey of 2,5,7-trimethylquinoline-4-carboximidamide?
The InChIKey is GXJOQAYPZWPUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-7-4-8(2)12-10(13(14)15)6-9(3)16-11(12)5-7/h4-6H,1-3H3,(H3,14,15).
What are the key properties of 2,5,7-trimethylquinoline-4-carboximidamide?
2,5,7-trimethylquinoline-4-carboximidamide has a molecular weight of 213.28 g/mol, XLogP of 2.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7-trimethylquinoline-4-carboximidamide is sourced from PubChem (CID 82448612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).