N-[2-(2-chloro-3-methylquinolin-6-yl)ethyl]cyclopropanamine

C15H17ClN2 — CID 116997859

IUPACN-[2-(2-chloro-3-methylquinolin-6-yl)ethyl]cyclopropanamine
SMILESCc1cc2cc(CCNC3CC3)ccc2nc1Cl
InChIInChI=1S/C15H17ClN2/c1-10-8-12-9-11(6-7-17-13-3-4-13)2-5-14(12)18-15(10)16/h2,5,8-9,13,17H,3-4,6-7H2,1H3
InChIKeyDHJQNTPHCRMJAT-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.49
Rot. Bonds4

About N-[2-(2-chloro-3-methylquinolin-6-yl)ethyl]cyclopropanamine

N-[2-(2-chloro-3-methylquinolin-6-yl)ethyl]cyclopropanamine (PubChem CID 116997859) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is N-[2-(2-chloro-3-methylquinolin-6-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-chloro-3-methylquinolin-6-yl)ethyl]cyclopropanamine
PubChem CID116997859
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC NameN-[2-(2-chloro-3-methylquinolin-6-yl)ethyl]cyclopropanamine
SMILESCc1cc2cc(CCNC3CC3)ccc2nc1Cl
InChIInChI=1S/C15H17ClN2/c1-10-8-12-9-11(6-7-17-13-3-4-13)2-5-14(12)18-15(10)16/h2,5,8-9,13,17H,3-4,6-7H2,1H3
InChIKeyDHJQNTPHCRMJAT-UHFFFAOYSA-N
XLogP3.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.49
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-(2-chloro-3-methylquinolin-6-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(2-chloro-3-methylquinolin-6-yl)ethyl]cyclopropanamine (CID 116997859) is N-[2-(2-chloro-3-methylquinolin-6-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-chloro-3-methylquinolin-6-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-chloro-3-methylquinolin-6-yl)ethyl]cyclopropanamine is Cc1cc2cc(CCNC3CC3)ccc2nc1Cl.
What is the InChIKey of N-[2-(2-chloro-3-methylquinolin-6-yl)ethyl]cyclopropanamine?
The InChIKey is DHJQNTPHCRMJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-10-8-12-9-11(6-7-17-13-3-4-13)2-5-14(12)18-15(10)16/h2,5,8-9,13,17H,3-4,6-7H2,1H3.
What are the key properties of N-[2-(2-chloro-3-methylquinolin-6-yl)ethyl]cyclopropanamine?
N-[2-(2-chloro-3-methylquinolin-6-yl)ethyl]cyclopropanamine has a molecular weight of 260.77 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-3-methylquinolin-6-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 116997859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).