4-chloro-2-methylquinoline-8-carboximidamide

C11H10ClN3 — CID 82573524

IUPAC4-chloro-2-methylquinoline-8-carboximidamide
SMILES[H]/N=C(\N)c1cccc2c(Cl)cc(C)nc12
InChIInChI=1S/C11H10ClN3/c1-6-5-9(12)7-3-2-4-8(11(13)14)10(7)15-6/h2-5H,1H3,(H3,13,14)
InChIKeyTWHCPHMGRGGXQK-UHFFFAOYSA-N
MW219.68 g/mol
LogP2.48
Rot. Bonds1

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

4-chloro-2-methylquinoline-8-carboximidamide (PubChem CID 82573524) has the molecular formula C11H10ClN3 and a molecular weight of 219.68 g/mol. Its IUPAC name is 4-chloro-2-methylquinoline-8-carboximidamide.

Molecular Properties

Compound Name4-chloro-2-methylquinoline-8-carboximidamide
PubChem CID82573524
Molecular FormulaC11H10ClN3
Molecular Weight219.68 g/mol
Exact Mass219.06
IUPAC Name4-chloro-2-methylquinoline-8-carboximidamide
SMILES[H]/N=C(\N)c1cccc2c(Cl)cc(C)nc12
InChIInChI=1S/C11H10ClN3/c1-6-5-9(12)7-3-2-4-8(11(13)14)10(7)15-6/h2-5H,1H3,(H3,13,14)
InChIKeyTWHCPHMGRGGXQK-UHFFFAOYSA-N
XLogP2.48
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.68
LogP ≤ 52.48
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

4-chloro-8-methoxy-2-methylquinoline-5-carboximidamide
CID 82573526
1-(4-chloro-2-methylquinolin-8-yl)ethanamine
CID 82575844
3-methylisoquinoline-1-carboximidamide
CID 82573405
4-[(2,6-dichlorophenyl)methylamino]-2-methylquinoline-8-carboxamide
CID 122185963
4-chloro-2,6-dimethylquinoline-8-carboxylic acid
CID 82574820
2-[1-(2-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carboximidamide
CID 107550456
biphenylene-1,8-dicarboximidamide
CID 71696896
2-(3-chlorophenyl)sulfanyl-6-methylpyridine-3-carboximidamide
CID 55101658
2-(8-chloro-2-methylquinolin-4-yl)acetamide
CID 82575392
6-bromo-2-methylquinoline-4-carboximidamide
CID 82449066
2-[5-(4-carbamimidoyl-1H-benzimidazol-2-yl)-1H-pyrrol-2-yl]-1H-benzimidazole-4-carboximidamide
CID 57107568
3-chloro-2-(methylideneamino)benzenecarboximidamide
CID 169150849

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylquinoline-8-carboximidamide?
The IUPAC name of 4-chloro-2-methylquinoline-8-carboximidamide (CID 82573524) is 4-chloro-2-methylquinoline-8-carboximidamide.
What is the SMILES notation for 4-chloro-2-methylquinoline-8-carboximidamide?
The canonical SMILES for 4-chloro-2-methylquinoline-8-carboximidamide is [H]/N=C(\N)c1cccc2c(Cl)cc(C)nc12.
What is the InChIKey of 4-chloro-2-methylquinoline-8-carboximidamide?
The InChIKey is TWHCPHMGRGGXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3/c1-6-5-9(12)7-3-2-4-8(11(13)14)10(7)15-6/h2-5H,1H3,(H3,13,14).
What are the key properties of 4-chloro-2-methylquinoline-8-carboximidamide?
4-chloro-2-methylquinoline-8-carboximidamide has a molecular weight of 219.68 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylquinoline-8-carboximidamide is sourced from PubChem (CID 82573524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).