8-chloro-2-cyclopropyl-N-methylquinolin-4-amine

C13H13ClN2 — CID 63358201

IUPAC8-chloro-2-cyclopropyl-N-methylquinolin-4-amine
SMILESCNc1cc(C2CC2)nc2c(Cl)cccc12
InChIInChI=1S/C13H13ClN2/c1-15-12-7-11(8-5-6-8)16-13-9(12)3-2-4-10(13)14/h2-4,7-8H,5-6H2,1H3,(H,15,16)
InChIKeyDIDRHQKMKNHQIQ-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.81
Rot. Bonds2

About 8-chloro-2-cyclopropyl-N-methylquinolin-4-amine

8-chloro-2-cyclopropyl-N-methylquinolin-4-amine (PubChem CID 63358201) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 8-chloro-2-cyclopropyl-N-methylquinolin-4-amine.

Molecular Properties

Compound Name8-chloro-2-cyclopropyl-N-methylquinolin-4-amine
PubChem CID63358201
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name8-chloro-2-cyclopropyl-N-methylquinolin-4-amine
SMILESCNc1cc(C2CC2)nc2c(Cl)cccc12
InChIInChI=1S/C13H13ClN2/c1-15-12-7-11(8-5-6-8)16-13-9(12)3-2-4-10(13)14/h2-4,7-8H,5-6H2,1H3,(H,15,16)
InChIKeyDIDRHQKMKNHQIQ-UHFFFAOYSA-N
XLogP3.81
TPSA24.92 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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-cyclopropyl-N-methylquinolin-4-amine?
The IUPAC name of 8-chloro-2-cyclopropyl-N-methylquinolin-4-amine (CID 63358201) is 8-chloro-2-cyclopropyl-N-methylquinolin-4-amine.
What is the SMILES notation for 8-chloro-2-cyclopropyl-N-methylquinolin-4-amine?
The canonical SMILES for 8-chloro-2-cyclopropyl-N-methylquinolin-4-amine is CNc1cc(C2CC2)nc2c(Cl)cccc12.
What is the InChIKey of 8-chloro-2-cyclopropyl-N-methylquinolin-4-amine?
The InChIKey is DIDRHQKMKNHQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c1-15-12-7-11(8-5-6-8)16-13-9(12)3-2-4-10(13)14/h2-4,7-8H,5-6H2,1H3,(H,15,16).
What are the key properties of 8-chloro-2-cyclopropyl-N-methylquinolin-4-amine?
8-chloro-2-cyclopropyl-N-methylquinolin-4-amine has a molecular weight of 232.71 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-cyclopropyl-N-methylquinolin-4-amine is sourced from PubChem (CID 63358201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).