ethyl 6,8-dimethyl-4-[methyl(pyrazin-2-ylmethyl)amino]quinoline-3-carboxylate

C20H22N4O2 — CID 133433854

IUPACethyl 6,8-dimethyl-4-[methyl(pyrazin-2-ylmethyl)amino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cc(C)cc2c1N(C)Cc1cnccn1
InChIInChI=1S/C20H22N4O2/c1-5-26-20(25)17-11-23-18-14(3)8-13(2)9-16(18)19(17)24(4)12-15-10-21-6-7-22-15/h6-11H,5,12H2,1-4H3
InChIKeyZVWZKKBRLGLRIP-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.45
Rot. Bonds5

About ethyl 6,8-dimethyl-4-[methyl(pyrazin-2-ylmethyl)amino]quinoline-3-carboxylate

ethyl 6,8-dimethyl-4-[methyl(pyrazin-2-ylmethyl)amino]quinoline-3-carboxylate (PubChem CID 133433854) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is ethyl 6,8-dimethyl-4-[methyl(pyrazin-2-ylmethyl)amino]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6,8-dimethyl-4-[methyl(pyrazin-2-ylmethyl)amino]quinoline-3-carboxylate
PubChem CID133433854
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Nameethyl 6,8-dimethyl-4-[methyl(pyrazin-2-ylmethyl)amino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cc(C)cc2c1N(C)Cc1cnccn1
InChIInChI=1S/C20H22N4O2/c1-5-26-20(25)17-11-23-18-14(3)8-13(2)9-16(18)19(17)24(4)12-15-10-21-6-7-22-15/h6-11H,5,12H2,1-4H3
InChIKeyZVWZKKBRLGLRIP-UHFFFAOYSA-N
XLogP3.45
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6,8-dimethyl-4-[methyl(pyrazin-2-ylmethyl)amino]quinoline-3-carboxylate?
The IUPAC name of ethyl 6,8-dimethyl-4-[methyl(pyrazin-2-ylmethyl)amino]quinoline-3-carboxylate (CID 133433854) is ethyl 6,8-dimethyl-4-[methyl(pyrazin-2-ylmethyl)amino]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6,8-dimethyl-4-[methyl(pyrazin-2-ylmethyl)amino]quinoline-3-carboxylate?
The canonical SMILES for ethyl 6,8-dimethyl-4-[methyl(pyrazin-2-ylmethyl)amino]quinoline-3-carboxylate is CCOC(=O)c1cnc2c(C)cc(C)cc2c1N(C)Cc1cnccn1.
What is the InChIKey of ethyl 6,8-dimethyl-4-[methyl(pyrazin-2-ylmethyl)amino]quinoline-3-carboxylate?
The InChIKey is ZVWZKKBRLGLRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-5-26-20(25)17-11-23-18-14(3)8-13(2)9-16(18)19(17)24(4)12-15-10-21-6-7-22-15/h6-11H,5,12H2,1-4H3.
What are the key properties of ethyl 6,8-dimethyl-4-[methyl(pyrazin-2-ylmethyl)amino]quinoline-3-carboxylate?
ethyl 6,8-dimethyl-4-[methyl(pyrazin-2-ylmethyl)amino]quinoline-3-carboxylate has a molecular weight of 350.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,8-dimethyl-4-[methyl(pyrazin-2-ylmethyl)amino]quinoline-3-carboxylate is sourced from PubChem (CID 133433854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).