3-(5-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine

C14H17ClN2 — CID 82576607

IUPAC3-(5-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine
SMILESCc1ccc(Cl)c2c(C)cc(CCCN)nc12
InChIInChI=1S/C14H17ClN2/c1-9-5-6-12(15)13-10(2)8-11(4-3-7-16)17-14(9)13/h5-6,8H,3-4,7,16H2,1-2H3
InChIKeyZARFTWFPCWCJGE-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.40
Rot. Bonds3

About 3-(5-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine

3-(5-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine (PubChem CID 82576607) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 3-(5-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine
PubChem CID82576607
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name3-(5-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine
SMILESCc1ccc(Cl)c2c(C)cc(CCCN)nc12
InChIInChI=1S/C14H17ClN2/c1-9-5-6-12(15)13-10(2)8-11(4-3-7-16)17-14(9)13/h5-6,8H,3-4,7,16H2,1-2H3
InChIKeyZARFTWFPCWCJGE-UHFFFAOYSA-N
XLogP3.40
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine?
The IUPAC name of 3-(5-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine (CID 82576607) is 3-(5-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine.
What is the SMILES notation for 3-(5-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine?
The canonical SMILES for 3-(5-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine is Cc1ccc(Cl)c2c(C)cc(CCCN)nc12.
What is the InChIKey of 3-(5-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine?
The InChIKey is ZARFTWFPCWCJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-9-5-6-12(15)13-10(2)8-11(4-3-7-16)17-14(9)13/h5-6,8H,3-4,7,16H2,1-2H3.
What are the key properties of 3-(5-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine?
3-(5-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine has a molecular weight of 248.76 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine is sourced from PubChem (CID 82576607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).