N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclohexanamine

C18H23ClN2 — CID 857469

IUPACN-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclohexanamine
SMILESCc1cc(C)c2nc(Cl)c(CNC3CCCCC3)cc2c1
InChIInChI=1S/C18H23ClN2/c1-12-8-13(2)17-14(9-12)10-15(18(19)21-17)11-20-16-6-4-3-5-7-16/h8-10,16,20H,3-7,11H2,1-2H3
InChIKeyOCUZSGBGXGKCHE-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.93
Rot. Bonds3

About N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclohexanamine

N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclohexanamine (PubChem CID 857469) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclohexanamine
PubChem CID857469
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC NameN-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclohexanamine
SMILESCc1cc(C)c2nc(Cl)c(CNC3CCCCC3)cc2c1
InChIInChI=1S/C18H23ClN2/c1-12-8-13(2)17-14(9-12)10-15(18(19)21-17)11-20-16-6-4-3-5-7-16/h8-10,16,20H,3-7,11H2,1-2H3
InChIKeyOCUZSGBGXGKCHE-UHFFFAOYSA-N
XLogP4.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclohexanamine?
The IUPAC name of N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclohexanamine (CID 857469) is N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclohexanamine?
The canonical SMILES for N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclohexanamine is Cc1cc(C)c2nc(Cl)c(CNC3CCCCC3)cc2c1.
What is the InChIKey of N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclohexanamine?
The InChIKey is OCUZSGBGXGKCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-12-8-13(2)17-14(9-12)10-15(18(19)21-17)11-20-16-6-4-3-5-7-16/h8-10,16,20H,3-7,11H2,1-2H3.
What are the key properties of N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclohexanamine?
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclohexanamine has a molecular weight of 302.85 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclohexanamine is sourced from PubChem (CID 857469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).