6-ethyl-2,2,4-trimethyl-1H-quinoline-8-carboxamide

C15H20N2O — CID 163410416

IUPAC6-ethyl-2,2,4-trimethyl-1H-quinoline-8-carboxamide
SMILESCCc1cc(C(N)=O)c2c(c1)C(C)=CC(C)(C)N2
InChIInChI=1S/C15H20N2O/c1-5-10-6-11-9(2)8-15(3,4)17-13(11)12(7-10)14(16)18/h6-8,17H,5H2,1-4H3,(H2,16,18)
InChIKeyZOFXSTLMFYPXKR-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.96
Rot. Bonds2

About 6-ethyl-2,2,4-trimethyl-1H-quinoline-8-carboxamide

6-ethyl-2,2,4-trimethyl-1H-quinoline-8-carboxamide (PubChem CID 163410416) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 6-ethyl-2,2,4-trimethyl-1H-quinoline-8-carboxamide.

Molecular Properties

Compound Name6-ethyl-2,2,4-trimethyl-1H-quinoline-8-carboxamide
PubChem CID163410416
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name6-ethyl-2,2,4-trimethyl-1H-quinoline-8-carboxamide
SMILESCCc1cc(C(N)=O)c2c(c1)C(C)=CC(C)(C)N2
InChIInChI=1S/C15H20N2O/c1-5-10-6-11-9(2)8-15(3,4)17-13(11)12(7-10)14(16)18/h6-8,17H,5H2,1-4H3,(H2,16,18)
InChIKeyZOFXSTLMFYPXKR-UHFFFAOYSA-N
XLogP2.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,2,4-trimethyl-1H-quinoline-8-carboxamide?
The IUPAC name of 6-ethyl-2,2,4-trimethyl-1H-quinoline-8-carboxamide (CID 163410416) is 6-ethyl-2,2,4-trimethyl-1H-quinoline-8-carboxamide.
What is the SMILES notation for 6-ethyl-2,2,4-trimethyl-1H-quinoline-8-carboxamide?
The canonical SMILES for 6-ethyl-2,2,4-trimethyl-1H-quinoline-8-carboxamide is CCc1cc(C(N)=O)c2c(c1)C(C)=CC(C)(C)N2.
What is the InChIKey of 6-ethyl-2,2,4-trimethyl-1H-quinoline-8-carboxamide?
The InChIKey is ZOFXSTLMFYPXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-5-10-6-11-9(2)8-15(3,4)17-13(11)12(7-10)14(16)18/h6-8,17H,5H2,1-4H3,(H2,16,18).
What are the key properties of 6-ethyl-2,2,4-trimethyl-1H-quinoline-8-carboxamide?
6-ethyl-2,2,4-trimethyl-1H-quinoline-8-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,2,4-trimethyl-1H-quinoline-8-carboxamide is sourced from PubChem (CID 163410416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).