1-ethyl-2,2,4-trimethylquinolin-7-ol;7-methoxy-2,2,4-trimethyl-1H-quinoline

C27H36N2O2 — CID 160805076

IUPAC1-ethyl-2,2,4-trimethylquinolin-7-ol;7-methoxy-2,2,4-trimethyl-1H-quinoline
SMILESCCN1c2cc(O)ccc2C(C)=CC1(C)C.COc1ccc2c(c1)NC(C)(C)C=C2C
InChIInChI=1S/C14H19NO.C13H17NO/c1-5-15-13-8-11(16)6-7-12(13)10(2)9-14(15,3)4;1-9-8-13(2,3)14-12-7-10(15-4)5-6-11(9)12/h6-9,16H,5H2,1-4H3;5-8,14H,1-4H3
InChIKeySDOUJJTUZRGYAE-UHFFFAOYSA-N
MW420.60 g/mol
LogP6.72
Rot. Bonds2

About 1-ethyl-2,2,4-trimethylquinolin-7-ol;7-methoxy-2,2,4-trimethyl-1H-quinoline

1-ethyl-2,2,4-trimethylquinolin-7-ol;7-methoxy-2,2,4-trimethyl-1H-quinoline (PubChem CID 160805076) has the molecular formula C27H36N2O2 and a molecular weight of 420.60 g/mol. Its IUPAC name is 1-ethyl-2,2,4-trimethylquinolin-7-ol;7-methoxy-2,2,4-trimethyl-1H-quinoline.

Molecular Properties

Compound Name1-ethyl-2,2,4-trimethylquinolin-7-ol;7-methoxy-2,2,4-trimethyl-1H-quinoline
PubChem CID160805076
Molecular FormulaC27H36N2O2
Molecular Weight420.60 g/mol
Exact Mass420.28
IUPAC Name1-ethyl-2,2,4-trimethylquinolin-7-ol;7-methoxy-2,2,4-trimethyl-1H-quinoline
SMILESCCN1c2cc(O)ccc2C(C)=CC1(C)C.COc1ccc2c(c1)NC(C)(C)C=C2C
InChIInChI=1S/C14H19NO.C13H17NO/c1-5-15-13-8-11(16)6-7-12(13)10(2)9-14(15,3)4;1-9-8-13(2,3)14-12-7-10(15-4)5-6-11(9)12/h6-9,16H,5H2,1-4H3;5-8,14H,1-4H3
InChIKeySDOUJJTUZRGYAE-UHFFFAOYSA-N
XLogP6.72
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,2,4-trimethylquinolin-7-ol;7-methoxy-2,2,4-trimethyl-1H-quinoline?
The IUPAC name of 1-ethyl-2,2,4-trimethylquinolin-7-ol;7-methoxy-2,2,4-trimethyl-1H-quinoline (CID 160805076) is 1-ethyl-2,2,4-trimethylquinolin-7-ol;7-methoxy-2,2,4-trimethyl-1H-quinoline.
What is the SMILES notation for 1-ethyl-2,2,4-trimethylquinolin-7-ol;7-methoxy-2,2,4-trimethyl-1H-quinoline?
The canonical SMILES for 1-ethyl-2,2,4-trimethylquinolin-7-ol;7-methoxy-2,2,4-trimethyl-1H-quinoline is CCN1c2cc(O)ccc2C(C)=CC1(C)C.COc1ccc2c(c1)NC(C)(C)C=C2C.
What is the InChIKey of 1-ethyl-2,2,4-trimethylquinolin-7-ol;7-methoxy-2,2,4-trimethyl-1H-quinoline?
The InChIKey is SDOUJJTUZRGYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.C13H17NO/c1-5-15-13-8-11(16)6-7-12(13)10(2)9-14(15,3)4;1-9-8-13(2,3)14-12-7-10(15-4)5-6-11(9)12/h6-9,16H,5H2,1-4H3;5-8,14H,1-4H3.
What are the key properties of 1-ethyl-2,2,4-trimethylquinolin-7-ol;7-methoxy-2,2,4-trimethyl-1H-quinoline?
1-ethyl-2,2,4-trimethylquinolin-7-ol;7-methoxy-2,2,4-trimethyl-1H-quinoline has a molecular weight of 420.60 g/mol, XLogP of 6.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,2,4-trimethylquinolin-7-ol;7-methoxy-2,2,4-trimethyl-1H-quinoline is sourced from PubChem (CID 160805076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).