5,7-dichloroquinoline-2-carboximidamide;hydrochloride

C10H8Cl3N3 — CID 82248568

IUPAC5,7-dichloroquinoline-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc2c(Cl)cc(Cl)cc2n1
InChIInChI=1S/C10H7Cl2N3.ClH/c11-5-3-7(12)6-1-2-8(10(13)14)15-9(6)4-5;/h1-4H,(H3,13,14);1H
InChIKeyWAYRZFOPPSSPBZ-UHFFFAOYSA-N
MW276.55 g/mol
LogP3.25
Rot. Bonds1

About 5,7-dichloroquinoline-2-carboximidamide;hydrochloride

5,7-dichloroquinoline-2-carboximidamide;hydrochloride (PubChem CID 82248568) has the molecular formula C10H8Cl3N3 and a molecular weight of 276.55 g/mol. Its IUPAC name is 5,7-dichloroquinoline-2-carboximidamide;hydrochloride.

Molecular Properties

Compound Name5,7-dichloroquinoline-2-carboximidamide;hydrochloride
PubChem CID82248568
Molecular FormulaC10H8Cl3N3
Molecular Weight276.55 g/mol
Exact Mass274.98
IUPAC Name5,7-dichloroquinoline-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc2c(Cl)cc(Cl)cc2n1
InChIInChI=1S/C10H7Cl2N3.ClH/c11-5-3-7(12)6-1-2-8(10(13)14)15-9(6)4-5;/h1-4H,(H3,13,14);1H
InChIKeyWAYRZFOPPSSPBZ-UHFFFAOYSA-N
XLogP3.25
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.55
LogP ≤ 53.25
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

7-chloro-4-methylquinoline-2-carboximidamide
CID 82573454
ethane;6-methyl-1,5-naphthyridine-2-carboximidamide
CID 172623231
4,7-dichloroquinoline-2-carboxylic acid
CID 21426380
pyridine-2,6-dicarboximidamide
CID 23373306
2-chloro-1,3-thiazole-4-carboximidamide;hydrochloride
CID 66769369
5-(3,5-dichlorophenyl)sulfanylpyridine-2-carboximidamide
CID 112736289
3-(5,7-dichloroquinolin-2-yl)-2-methylpropan-1-amine
CID 82247293
6-chloro-4-methylpyridine-2-carboximidamide;hydrochloride
CID 53484967
2-tert-butyl-6,8-dichloroquinoline-4-carboximidamide
CID 82449413
4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride
CID 19988643
2-chloro-1,3-oxazole-4-carboximidamide
CID 76853027
4-(3,5-dichlorophenoxy)pyridine-2-carboximidamide
CID 62925834

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloroquinoline-2-carboximidamide;hydrochloride?
The IUPAC name of 5,7-dichloroquinoline-2-carboximidamide;hydrochloride (CID 82248568) is 5,7-dichloroquinoline-2-carboximidamide;hydrochloride.
What is the SMILES notation for 5,7-dichloroquinoline-2-carboximidamide;hydrochloride?
The canonical SMILES for 5,7-dichloroquinoline-2-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc2c(Cl)cc(Cl)cc2n1.
What is the InChIKey of 5,7-dichloroquinoline-2-carboximidamide;hydrochloride?
The InChIKey is WAYRZFOPPSSPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3.ClH/c11-5-3-7(12)6-1-2-8(10(13)14)15-9(6)4-5;/h1-4H,(H3,13,14);1H.
What are the key properties of 5,7-dichloroquinoline-2-carboximidamide;hydrochloride?
5,7-dichloroquinoline-2-carboximidamide;hydrochloride has a molecular weight of 276.55 g/mol, XLogP of 3.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloroquinoline-2-carboximidamide;hydrochloride is sourced from PubChem (CID 82248568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).