ethyl 8-methoxy-4-[5-(2-methoxyphenyl)pyrazin-2-yl]quinoline-3-carboxylate

C24H21N3O4 — CID 162646577

IUPACethyl 8-methoxy-4-[5-(2-methoxyphenyl)pyrazin-2-yl]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1-c1cnc(-c2ccccc2OC)cn1
InChIInChI=1S/C24H21N3O4/c1-4-31-24(28)17-12-27-23-16(9-7-11-21(23)30-3)22(17)19-14-25-18(13-26-19)15-8-5-6-10-20(15)29-2/h5-14H,4H2,1-3H3
InChIKeyHVBLHRXDOYFIAZ-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.55
Rot. Bonds6

About ethyl 8-methoxy-4-[5-(2-methoxyphenyl)pyrazin-2-yl]quinoline-3-carboxylate

ethyl 8-methoxy-4-[5-(2-methoxyphenyl)pyrazin-2-yl]quinoline-3-carboxylate (PubChem CID 162646577) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is ethyl 8-methoxy-4-[5-(2-methoxyphenyl)pyrazin-2-yl]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-methoxy-4-[5-(2-methoxyphenyl)pyrazin-2-yl]quinoline-3-carboxylate
PubChem CID162646577
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Nameethyl 8-methoxy-4-[5-(2-methoxyphenyl)pyrazin-2-yl]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1-c1cnc(-c2ccccc2OC)cn1
InChIInChI=1S/C24H21N3O4/c1-4-31-24(28)17-12-27-23-16(9-7-11-21(23)30-3)22(17)19-14-25-18(13-26-19)15-8-5-6-10-20(15)29-2/h5-14H,4H2,1-3H3
InChIKeyHVBLHRXDOYFIAZ-UHFFFAOYSA-N
XLogP4.55
TPSA83.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-methoxy-4-[5-(2-methoxyphenyl)pyrazin-2-yl]quinoline-3-carboxylate?
The IUPAC name of ethyl 8-methoxy-4-[5-(2-methoxyphenyl)pyrazin-2-yl]quinoline-3-carboxylate (CID 162646577) is ethyl 8-methoxy-4-[5-(2-methoxyphenyl)pyrazin-2-yl]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-methoxy-4-[5-(2-methoxyphenyl)pyrazin-2-yl]quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-methoxy-4-[5-(2-methoxyphenyl)pyrazin-2-yl]quinoline-3-carboxylate is CCOC(=O)c1cnc2c(OC)cccc2c1-c1cnc(-c2ccccc2OC)cn1.
What is the InChIKey of ethyl 8-methoxy-4-[5-(2-methoxyphenyl)pyrazin-2-yl]quinoline-3-carboxylate?
The InChIKey is HVBLHRXDOYFIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-4-31-24(28)17-12-27-23-16(9-7-11-21(23)30-3)22(17)19-14-25-18(13-26-19)15-8-5-6-10-20(15)29-2/h5-14H,4H2,1-3H3.
What are the key properties of ethyl 8-methoxy-4-[5-(2-methoxyphenyl)pyrazin-2-yl]quinoline-3-carboxylate?
ethyl 8-methoxy-4-[5-(2-methoxyphenyl)pyrazin-2-yl]quinoline-3-carboxylate has a molecular weight of 415.45 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methoxy-4-[5-(2-methoxyphenyl)pyrazin-2-yl]quinoline-3-carboxylate is sourced from PubChem (CID 162646577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).