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

C16H19ClN2 — CID 1467782

IUPACN-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclopentanamine
SMILESCc1cccc2cc(CNC3CCCC3)c(Cl)nc12
InChIInChI=1S/C16H19ClN2/c1-11-5-4-6-12-9-13(16(17)19-15(11)12)10-18-14-7-2-3-8-14/h4-6,9,14,18H,2-3,7-8,10H2,1H3
InChIKeyMRJDBOASBDYEGB-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.23
Rot. Bonds3

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

N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclopentanamine (PubChem CID 1467782) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclopentanamine
PubChem CID1467782
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC NameN-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclopentanamine
SMILESCc1cccc2cc(CNC3CCCC3)c(Cl)nc12
InChIInChI=1S/C16H19ClN2/c1-11-5-4-6-12-9-13(16(17)19-15(11)12)10-18-14-7-2-3-8-14/h4-6,9,14,18H,2-3,7-8,10H2,1H3
InChIKeyMRJDBOASBDYEGB-UHFFFAOYSA-N
XLogP4.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.23
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]cyclopentanamine?
The IUPAC name of N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclopentanamine (CID 1467782) is N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclopentanamine is Cc1cccc2cc(CNC3CCCC3)c(Cl)nc12.
What is the InChIKey of N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclopentanamine?
The InChIKey is MRJDBOASBDYEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-11-5-4-6-12-9-13(16(17)19-15(11)12)10-18-14-7-2-3-8-14/h4-6,9,14,18H,2-3,7-8,10H2,1H3.
What are the key properties of N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclopentanamine?
N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclopentanamine has a molecular weight of 274.80 g/mol, XLogP of 4.23, 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]cyclopentanamine is sourced from PubChem (CID 1467782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).