6-chloro-2-ethyl-8-iodo-3-methyl-N-propylquinolin-4-amine

C15H18ClIN2 — CID 107628851

IUPAC6-chloro-2-ethyl-8-iodo-3-methyl-N-propylquinolin-4-amine
SMILESCCCNc1c(C)c(CC)nc2c(I)cc(Cl)cc12
InChIInChI=1S/C15H18ClIN2/c1-4-6-18-14-9(3)13(5-2)19-15-11(14)7-10(16)8-12(15)17/h7-8H,4-6H2,1-3H3,(H,18,19)
InChIKeyDJQBYIQIEQSAMF-UHFFFAOYSA-N
MW388.68 g/mol
LogP5.19
Rot. Bonds4

About 6-chloro-2-ethyl-8-iodo-3-methyl-N-propylquinolin-4-amine

6-chloro-2-ethyl-8-iodo-3-methyl-N-propylquinolin-4-amine (PubChem CID 107628851) has the molecular formula C15H18ClIN2 and a molecular weight of 388.68 g/mol. Its IUPAC name is 6-chloro-2-ethyl-8-iodo-3-methyl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-8-iodo-3-methyl-N-propylquinolin-4-amine
PubChem CID107628851
Molecular FormulaC15H18ClIN2
Molecular Weight388.68 g/mol
Exact Mass388.02
IUPAC Name6-chloro-2-ethyl-8-iodo-3-methyl-N-propylquinolin-4-amine
SMILESCCCNc1c(C)c(CC)nc2c(I)cc(Cl)cc12
InChIInChI=1S/C15H18ClIN2/c1-4-6-18-14-9(3)13(5-2)19-15-11(14)7-10(16)8-12(15)17/h7-8H,4-6H2,1-3H3,(H,18,19)
InChIKeyDJQBYIQIEQSAMF-UHFFFAOYSA-N
XLogP5.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.68
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-8-iodo-3-methyl-N-propylquinolin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-8-iodo-3-methyl-N-propylquinolin-4-amine (CID 107628851) is 6-chloro-2-ethyl-8-iodo-3-methyl-N-propylquinolin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-8-iodo-3-methyl-N-propylquinolin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-8-iodo-3-methyl-N-propylquinolin-4-amine is CCCNc1c(C)c(CC)nc2c(I)cc(Cl)cc12.
What is the InChIKey of 6-chloro-2-ethyl-8-iodo-3-methyl-N-propylquinolin-4-amine?
The InChIKey is DJQBYIQIEQSAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClIN2/c1-4-6-18-14-9(3)13(5-2)19-15-11(14)7-10(16)8-12(15)17/h7-8H,4-6H2,1-3H3,(H,18,19).
What are the key properties of 6-chloro-2-ethyl-8-iodo-3-methyl-N-propylquinolin-4-amine?
6-chloro-2-ethyl-8-iodo-3-methyl-N-propylquinolin-4-amine has a molecular weight of 388.68 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-8-iodo-3-methyl-N-propylquinolin-4-amine is sourced from PubChem (CID 107628851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).