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

C15H19ClN2 — CID 63480980

IUPAC6-chloro-N-ethyl-8-methyl-2-propylquinolin-4-amine
SMILESCCCc1cc(NCC)c2cc(Cl)cc(C)c2n1
InChIInChI=1S/C15H19ClN2/c1-4-6-12-9-14(17-5-2)13-8-11(16)7-10(3)15(13)18-12/h7-9H,4-6H2,1-3H3,(H,17,18)
InChIKeyXSYHCMVQXRJOSC-UHFFFAOYSA-N
MW262.78 g/mol
LogP4.58
Rot. Bonds4

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

6-chloro-N-ethyl-8-methyl-2-propylquinolin-4-amine (PubChem CID 63480980) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 6-chloro-N-ethyl-8-methyl-2-propylquinolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-8-methyl-2-propylquinolin-4-amine
PubChem CID63480980
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name6-chloro-N-ethyl-8-methyl-2-propylquinolin-4-amine
SMILESCCCc1cc(NCC)c2cc(Cl)cc(C)c2n1
InChIInChI=1S/C15H19ClN2/c1-4-6-12-9-14(17-5-2)13-8-11(16)7-10(3)15(13)18-12/h7-9H,4-6H2,1-3H3,(H,17,18)
InChIKeyXSYHCMVQXRJOSC-UHFFFAOYSA-N
XLogP4.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-8-methyl-2-propylquinolin-4-amine?
The IUPAC name of 6-chloro-N-ethyl-8-methyl-2-propylquinolin-4-amine (CID 63480980) is 6-chloro-N-ethyl-8-methyl-2-propylquinolin-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-8-methyl-2-propylquinolin-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-8-methyl-2-propylquinolin-4-amine is CCCc1cc(NCC)c2cc(Cl)cc(C)c2n1.
What is the InChIKey of 6-chloro-N-ethyl-8-methyl-2-propylquinolin-4-amine?
The InChIKey is XSYHCMVQXRJOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-4-6-12-9-14(17-5-2)13-8-11(16)7-10(3)15(13)18-12/h7-9H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 6-chloro-N-ethyl-8-methyl-2-propylquinolin-4-amine?
6-chloro-N-ethyl-8-methyl-2-propylquinolin-4-amine has a molecular weight of 262.78 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-8-methyl-2-propylquinolin-4-amine is sourced from PubChem (CID 63480980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).