7-chloro-2-cyclopropyl-6-methylquinolin-4-amine

C13H13ClN2 — CID 104722096

IUPAC7-chloro-2-cyclopropyl-6-methylquinolin-4-amine
SMILESCc1cc2c(N)cc(C3CC3)nc2cc1Cl
InChIInChI=1S/C13H13ClN2/c1-7-4-9-11(15)6-12(8-2-3-8)16-13(9)5-10(7)14/h4-6,8H,2-3H2,1H3,(H2,15,16)
InChIKeyRKHTXHNAXGUEGG-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.66
Rot. Bonds1

About 7-chloro-2-cyclopropyl-6-methylquinolin-4-amine

7-chloro-2-cyclopropyl-6-methylquinolin-4-amine (PubChem CID 104722096) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 7-chloro-2-cyclopropyl-6-methylquinolin-4-amine.

Molecular Properties

Compound Name7-chloro-2-cyclopropyl-6-methylquinolin-4-amine
PubChem CID104722096
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name7-chloro-2-cyclopropyl-6-methylquinolin-4-amine
SMILESCc1cc2c(N)cc(C3CC3)nc2cc1Cl
InChIInChI=1S/C13H13ClN2/c1-7-4-9-11(15)6-12(8-2-3-8)16-13(9)5-10(7)14/h4-6,8H,2-3H2,1H3,(H2,15,16)
InChIKeyRKHTXHNAXGUEGG-UHFFFAOYSA-N
XLogP3.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-cyclopropyl-6-methylquinolin-4-amine?
The IUPAC name of 7-chloro-2-cyclopropyl-6-methylquinolin-4-amine (CID 104722096) is 7-chloro-2-cyclopropyl-6-methylquinolin-4-amine.
What is the SMILES notation for 7-chloro-2-cyclopropyl-6-methylquinolin-4-amine?
The canonical SMILES for 7-chloro-2-cyclopropyl-6-methylquinolin-4-amine is Cc1cc2c(N)cc(C3CC3)nc2cc1Cl.
What is the InChIKey of 7-chloro-2-cyclopropyl-6-methylquinolin-4-amine?
The InChIKey is RKHTXHNAXGUEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c1-7-4-9-11(15)6-12(8-2-3-8)16-13(9)5-10(7)14/h4-6,8H,2-3H2,1H3,(H2,15,16).
What are the key properties of 7-chloro-2-cyclopropyl-6-methylquinolin-4-amine?
7-chloro-2-cyclopropyl-6-methylquinolin-4-amine has a molecular weight of 232.71 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-cyclopropyl-6-methylquinolin-4-amine is sourced from PubChem (CID 104722096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).