3-chloro-6-ethylquinoline;methane;5-N,4,6-trimethylpyridine-2,5-diamine

C20H27ClN4 — CID 157189996

IUPAC3-chloro-6-ethylquinoline;methane;5-N,4,6-trimethylpyridine-2,5-diamine
SMILESC.CCc1ccc2ncc(Cl)cc2c1.CNc1c(C)cc(N)nc1C
InChIInChI=1S/C11H10ClN.C8H13N3.CH4/c1-2-8-3-4-11-9(5-8)6-10(12)7-13-11;1-5-4-7(9)11-6(2)8(5)10-3;/h3-7H,2H2,1H3;4,10H,1-3H3,(H2,9,11);1H4
InChIKeyAPOYIKDPYOHSCU-UHFFFAOYSA-N
MW358.92 g/mol
LogP5.41
Rot. Bonds2

About 3-chloro-6-ethylquinoline;methane;5-N,4,6-trimethylpyridine-2,5-diamine

3-chloro-6-ethylquinoline;methane;5-N,4,6-trimethylpyridine-2,5-diamine (PubChem CID 157189996) has the molecular formula C20H27ClN4 and a molecular weight of 358.92 g/mol. Its IUPAC name is 3-chloro-6-ethylquinoline;methane;5-N,4,6-trimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name3-chloro-6-ethylquinoline;methane;5-N,4,6-trimethylpyridine-2,5-diamine
PubChem CID157189996
Molecular FormulaC20H27ClN4
Molecular Weight358.92 g/mol
Exact Mass358.19
IUPAC Name3-chloro-6-ethylquinoline;methane;5-N,4,6-trimethylpyridine-2,5-diamine
SMILESC.CCc1ccc2ncc(Cl)cc2c1.CNc1c(C)cc(N)nc1C
InChIInChI=1S/C11H10ClN.C8H13N3.CH4/c1-2-8-3-4-11-9(5-8)6-10(12)7-13-11;1-5-4-7(9)11-6(2)8(5)10-3;/h3-7H,2H2,1H3;4,10H,1-3H3,(H2,9,11);1H4
InChIKeyAPOYIKDPYOHSCU-UHFFFAOYSA-N
XLogP5.41
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.92
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-ethylquinoline;methane;5-N,4,6-trimethylpyridine-2,5-diamine?
The IUPAC name of 3-chloro-6-ethylquinoline;methane;5-N,4,6-trimethylpyridine-2,5-diamine (CID 157189996) is 3-chloro-6-ethylquinoline;methane;5-N,4,6-trimethylpyridine-2,5-diamine.
What is the SMILES notation for 3-chloro-6-ethylquinoline;methane;5-N,4,6-trimethylpyridine-2,5-diamine?
The canonical SMILES for 3-chloro-6-ethylquinoline;methane;5-N,4,6-trimethylpyridine-2,5-diamine is C.CCc1ccc2ncc(Cl)cc2c1.CNc1c(C)cc(N)nc1C.
What is the InChIKey of 3-chloro-6-ethylquinoline;methane;5-N,4,6-trimethylpyridine-2,5-diamine?
The InChIKey is APOYIKDPYOHSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN.C8H13N3.CH4/c1-2-8-3-4-11-9(5-8)6-10(12)7-13-11;1-5-4-7(9)11-6(2)8(5)10-3;/h3-7H,2H2,1H3;4,10H,1-3H3,(H2,9,11);1H4.
What are the key properties of 3-chloro-6-ethylquinoline;methane;5-N,4,6-trimethylpyridine-2,5-diamine?
3-chloro-6-ethylquinoline;methane;5-N,4,6-trimethylpyridine-2,5-diamine has a molecular weight of 358.92 g/mol, XLogP of 5.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-ethylquinoline;methane;5-N,4,6-trimethylpyridine-2,5-diamine is sourced from PubChem (CID 157189996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).