7-chloro-3-ethyl-2,6-dimethyl-N-propylquinolin-4-amine

C16H21ClN2 — CID 104722062

IUPAC7-chloro-3-ethyl-2,6-dimethyl-N-propylquinolin-4-amine
SMILESCCCNc1c(CC)c(C)nc2cc(Cl)c(C)cc12
InChIInChI=1S/C16H21ClN2/c1-5-7-18-16-12(6-2)11(4)19-15-9-14(17)10(3)8-13(15)16/h8-9H,5-7H2,1-4H3,(H,18,19)
InChIKeyHFEPUHVAJMGDTJ-UHFFFAOYSA-N
MW276.81 g/mol
LogP4.89
Rot. Bonds4

About 7-chloro-3-ethyl-2,6-dimethyl-N-propylquinolin-4-amine

7-chloro-3-ethyl-2,6-dimethyl-N-propylquinolin-4-amine (PubChem CID 104722062) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 7-chloro-3-ethyl-2,6-dimethyl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name7-chloro-3-ethyl-2,6-dimethyl-N-propylquinolin-4-amine
PubChem CID104722062
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC Name7-chloro-3-ethyl-2,6-dimethyl-N-propylquinolin-4-amine
SMILESCCCNc1c(CC)c(C)nc2cc(Cl)c(C)cc12
InChIInChI=1S/C16H21ClN2/c1-5-7-18-16-12(6-2)11(4)19-15-9-14(17)10(3)8-13(15)16/h8-9H,5-7H2,1-4H3,(H,18,19)
InChIKeyHFEPUHVAJMGDTJ-UHFFFAOYSA-N
XLogP4.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-3-ethyl-7-fluoro-2-methyl-N-propylquinolin-4-amine
CID 107370539
6-tert-butyl-3-ethyl-2-methyl-N-propylquinolin-4-amine
CID 63480956
7-chloro-3-ethyl-8-fluoro-2-methyl-N-propylquinolin-4-amine
CID 63479361
3-ethyl-2,7,8-trimethyl-N-propylquinolin-4-amine
CID 63480442
6-ethoxy-3-ethyl-2-methyl-N-propylquinolin-4-amine
CID 63480039
3-ethyl-2,5,7-trimethyl-N-propylquinolin-4-amine
CID 63479608
5,8-dichloro-3-ethyl-2-methyl-N-propylquinolin-4-amine
CID 55196144
4-chloro-3-ethyl-7-fluoro-2,6-dimethylquinoline
CID 103996076
7-chloro-2-(methoxymethyl)-6-methyl-N-propylquinolin-4-amine
CID 104722052
3-ethyl-2,5,8-trimethyl-N-propylquinolin-4-amine
CID 55196722
3-ethyl-2-methyl-8-propan-2-yl-N-propylquinolin-4-amine
CID 63480478
6-bromo-7-fluoro-2,3-dimethyl-N-propylquinolin-4-amine
CID 103996873

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-ethyl-2,6-dimethyl-N-propylquinolin-4-amine?
The IUPAC name of 7-chloro-3-ethyl-2,6-dimethyl-N-propylquinolin-4-amine (CID 104722062) is 7-chloro-3-ethyl-2,6-dimethyl-N-propylquinolin-4-amine.
What is the SMILES notation for 7-chloro-3-ethyl-2,6-dimethyl-N-propylquinolin-4-amine?
The canonical SMILES for 7-chloro-3-ethyl-2,6-dimethyl-N-propylquinolin-4-amine is CCCNc1c(CC)c(C)nc2cc(Cl)c(C)cc12.
What is the InChIKey of 7-chloro-3-ethyl-2,6-dimethyl-N-propylquinolin-4-amine?
The InChIKey is HFEPUHVAJMGDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-5-7-18-16-12(6-2)11(4)19-15-9-14(17)10(3)8-13(15)16/h8-9H,5-7H2,1-4H3,(H,18,19).
What are the key properties of 7-chloro-3-ethyl-2,6-dimethyl-N-propylquinolin-4-amine?
7-chloro-3-ethyl-2,6-dimethyl-N-propylquinolin-4-amine has a molecular weight of 276.81 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-ethyl-2,6-dimethyl-N-propylquinolin-4-amine is sourced from PubChem (CID 104722062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).