2-tert-butyl-6,8-dichloroquinoline-4-carboximidamide

C14H15Cl2N3 — CID 82449413

IUPAC2-tert-butyl-6,8-dichloroquinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C(C)(C)C)nc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C14H15Cl2N3/c1-14(2,3)11-6-9(13(17)18)8-4-7(15)5-10(16)12(8)19-11/h4-6H,1-3H3,(H3,17,18)
InChIKeyXCCLAUOGDAPPOK-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.12
Rot. Bonds1

About 2-tert-butyl-6,8-dichloroquinoline-4-carboximidamide

2-tert-butyl-6,8-dichloroquinoline-4-carboximidamide (PubChem CID 82449413) has the molecular formula C14H15Cl2N3 and a molecular weight of 296.20 g/mol. Its IUPAC name is 2-tert-butyl-6,8-dichloroquinoline-4-carboximidamide.

Molecular Properties

Compound Name2-tert-butyl-6,8-dichloroquinoline-4-carboximidamide
PubChem CID82449413
Molecular FormulaC14H15Cl2N3
Molecular Weight296.20 g/mol
Exact Mass295.06
IUPAC Name2-tert-butyl-6,8-dichloroquinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C(C)(C)C)nc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C14H15Cl2N3/c1-14(2,3)11-6-9(13(17)18)8-4-7(15)5-10(16)12(8)19-11/h4-6H,1-3H3,(H3,17,18)
InChIKeyXCCLAUOGDAPPOK-UHFFFAOYSA-N
XLogP4.12
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.12
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

2-tert-butyl-6,8-dichloroquinolin-4-amine
CID 55194614
(2-tert-butyl-6,8-dichloroquinolin-4-yl)hydrazine
CID 63482793
4-chloro-2-methylquinoline-8-carboximidamide
CID 82573524
2-tert-butylsulfanyl-5-chlorobenzenecarboximidamide
CID 62494946
1-(2-tert-butyl-5,7-dichloroquinolin-4-yl)ethanone
CID 82449477
5,7-dichloroquinoline-2-carboximidamide;hydrochloride
CID 82248568
2,3,4,6,8-pentachloroquinoline
CID 97181861
4-chloro-2-(ethylamino)benzenecarboximidamide
CID 63094553
3-tert-butyl-1,2-oxazole-5-carboximidamide
CID 58057178
3,6-dichloropyridazine-4-carboximidamide
CID 153219721
4-chloro-2-methoxybenzenecarboximidamide
CID 63093709
2-chloro-4,5-difluorobenzenecarboximidamide;ethane
CID 145225974

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6,8-dichloroquinoline-4-carboximidamide?
The IUPAC name of 2-tert-butyl-6,8-dichloroquinoline-4-carboximidamide (CID 82449413) is 2-tert-butyl-6,8-dichloroquinoline-4-carboximidamide.
What is the SMILES notation for 2-tert-butyl-6,8-dichloroquinoline-4-carboximidamide?
The canonical SMILES for 2-tert-butyl-6,8-dichloroquinoline-4-carboximidamide is [H]/N=C(\N)c1cc(C(C)(C)C)nc2c(Cl)cc(Cl)cc12.
What is the InChIKey of 2-tert-butyl-6,8-dichloroquinoline-4-carboximidamide?
The InChIKey is XCCLAUOGDAPPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3/c1-14(2,3)11-6-9(13(17)18)8-4-7(15)5-10(16)12(8)19-11/h4-6H,1-3H3,(H3,17,18).
What are the key properties of 2-tert-butyl-6,8-dichloroquinoline-4-carboximidamide?
2-tert-butyl-6,8-dichloroquinoline-4-carboximidamide has a molecular weight of 296.20 g/mol, XLogP of 4.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6,8-dichloroquinoline-4-carboximidamide is sourced from PubChem (CID 82449413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).