5-chloro-8-methyl-N,3-dipropylquinolin-2-amine

C16H21ClN2 — CID 55223167

IUPAC5-chloro-8-methyl-N,3-dipropylquinolin-2-amine
SMILESCCCNc1nc2c(C)ccc(Cl)c2cc1CCC
InChIInChI=1S/C16H21ClN2/c1-4-6-12-10-13-14(17)8-7-11(3)15(13)19-16(12)18-9-5-2/h7-8,10H,4-6,9H2,1-3H3,(H,18,19)
InChIKeyFJFOCURUTWXOAQ-UHFFFAOYSA-N
MW276.81 g/mol
LogP4.97
Rot. Bonds5

About 5-chloro-8-methyl-N,3-dipropylquinolin-2-amine

5-chloro-8-methyl-N,3-dipropylquinolin-2-amine (PubChem CID 55223167) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 5-chloro-8-methyl-N,3-dipropylquinolin-2-amine.

Molecular Properties

Compound Name5-chloro-8-methyl-N,3-dipropylquinolin-2-amine
PubChem CID55223167
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC Name5-chloro-8-methyl-N,3-dipropylquinolin-2-amine
SMILESCCCNc1nc2c(C)ccc(Cl)c2cc1CCC
InChIInChI=1S/C16H21ClN2/c1-4-6-12-10-13-14(17)8-7-11(3)15(13)19-16(12)18-9-5-2/h7-8,10H,4-6,9H2,1-3H3,(H,18,19)
InChIKeyFJFOCURUTWXOAQ-UHFFFAOYSA-N
XLogP4.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-methyl-N,3-dipropylquinolin-2-amine?
The IUPAC name of 5-chloro-8-methyl-N,3-dipropylquinolin-2-amine (CID 55223167) is 5-chloro-8-methyl-N,3-dipropylquinolin-2-amine.
What is the SMILES notation for 5-chloro-8-methyl-N,3-dipropylquinolin-2-amine?
The canonical SMILES for 5-chloro-8-methyl-N,3-dipropylquinolin-2-amine is CCCNc1nc2c(C)ccc(Cl)c2cc1CCC.
What is the InChIKey of 5-chloro-8-methyl-N,3-dipropylquinolin-2-amine?
The InChIKey is FJFOCURUTWXOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-4-6-12-10-13-14(17)8-7-11(3)15(13)19-16(12)18-9-5-2/h7-8,10H,4-6,9H2,1-3H3,(H,18,19).
What are the key properties of 5-chloro-8-methyl-N,3-dipropylquinolin-2-amine?
5-chloro-8-methyl-N,3-dipropylquinolin-2-amine has a molecular weight of 276.81 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-methyl-N,3-dipropylquinolin-2-amine is sourced from PubChem (CID 55223167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).