N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclohexanamine

C17H21ClN2 — CID 857471

IUPACN-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclohexanamine
SMILESCc1cccc2cc(CNC3CCCCC3)c(Cl)nc12
InChIInChI=1S/C17H21ClN2/c1-12-6-5-7-13-10-14(17(18)20-16(12)13)11-19-15-8-3-2-4-9-15/h5-7,10,15,19H,2-4,8-9,11H2,1H3
InChIKeyQZAREIXBDJCHKW-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.62
Rot. Bonds3

About N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclohexanamine

N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclohexanamine (PubChem CID 857471) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclohexanamine
PubChem CID857471
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC NameN-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclohexanamine
SMILESCc1cccc2cc(CNC3CCCCC3)c(Cl)nc12
InChIInChI=1S/C17H21ClN2/c1-12-6-5-7-13-10-14(17(18)20-16(12)13)11-19-15-8-3-2-4-9-15/h5-7,10,15,19H,2-4,8-9,11H2,1H3
InChIKeyQZAREIXBDJCHKW-UHFFFAOYSA-N
XLogP4.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.62
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-8-methylquinolin-3-yl)methyl]cyclohexanamine?
The IUPAC name of N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclohexanamine (CID 857471) is N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclohexanamine?
The canonical SMILES for N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclohexanamine is Cc1cccc2cc(CNC3CCCCC3)c(Cl)nc12.
What is the InChIKey of N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclohexanamine?
The InChIKey is QZAREIXBDJCHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-12-6-5-7-13-10-14(17(18)20-16(12)13)11-19-15-8-3-2-4-9-15/h5-7,10,15,19H,2-4,8-9,11H2,1H3.
What are the key properties of N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclohexanamine?
N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclohexanamine has a molecular weight of 288.82 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclohexanamine is sourced from PubChem (CID 857471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).