(S)-(2-chloroquinolin-3-yl)-cyclopropylmethanamine

C13H13ClN2 — CID 171234837

IUPAC(S)-(2-chloroquinolin-3-yl)-cyclopropylmethanamine
SMILESN[C@H](c1cc2ccccc2nc1Cl)C1CC1
InChIInChI=1S/C13H13ClN2/c14-13-10(12(15)8-5-6-8)7-9-3-1-2-4-11(9)16-13/h1-4,7-8,12H,5-6,15H2/t12-/m0/s1
InChIKeyNZILVSFAGRUDAW-LBPRGKRZSA-N
MW232.71 g/mol
LogP3.30
Rot. Bonds2

About (S)-(2-chloroquinolin-3-yl)-cyclopropylmethanamine

(S)-(2-chloroquinolin-3-yl)-cyclopropylmethanamine (PubChem CID 171234837) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is (S)-(2-chloroquinolin-3-yl)-cyclopropylmethanamine.

Molecular Properties

Compound Name(S)-(2-chloroquinolin-3-yl)-cyclopropylmethanamine
PubChem CID171234837
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name(S)-(2-chloroquinolin-3-yl)-cyclopropylmethanamine
SMILESN[C@H](c1cc2ccccc2nc1Cl)C1CC1
InChIInChI=1S/C13H13ClN2/c14-13-10(12(15)8-5-6-8)7-9-3-1-2-4-11(9)16-13/h1-4,7-8,12H,5-6,15H2/t12-/m0/s1
InChIKeyNZILVSFAGRUDAW-LBPRGKRZSA-N
XLogP3.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.30
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 (S)-(2-chloroquinolin-3-yl)-cyclopropylmethanamine?
The IUPAC name of (S)-(2-chloroquinolin-3-yl)-cyclopropylmethanamine (CID 171234837) is (S)-(2-chloroquinolin-3-yl)-cyclopropylmethanamine.
What is the SMILES notation for (S)-(2-chloroquinolin-3-yl)-cyclopropylmethanamine?
The canonical SMILES for (S)-(2-chloroquinolin-3-yl)-cyclopropylmethanamine is N[C@H](c1cc2ccccc2nc1Cl)C1CC1.
What is the InChIKey of (S)-(2-chloroquinolin-3-yl)-cyclopropylmethanamine?
The InChIKey is NZILVSFAGRUDAW-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H13ClN2/c14-13-10(12(15)8-5-6-8)7-9-3-1-2-4-11(9)16-13/h1-4,7-8,12H,5-6,15H2/t12-/m0/s1.
What are the key properties of (S)-(2-chloroquinolin-3-yl)-cyclopropylmethanamine?
(S)-(2-chloroquinolin-3-yl)-cyclopropylmethanamine has a molecular weight of 232.71 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2-chloroquinolin-3-yl)-cyclopropylmethanamine is sourced from PubChem (CID 171234837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).