3-(3-methoxyphenyl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide

C27H27N5O3 — CID 118463528

IUPAC3-(3-methoxyphenyl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide
SMILESCOc1cccc(-c2nc3cc(C(=O)NCCc4cccnc4)ccc3nc2N2CCOCC2)c1
InChIInChI=1S/C27H27N5O3/c1-34-22-6-2-5-20(16-22)25-26(32-12-14-35-15-13-32)31-23-8-7-21(17-24(23)30-25)27(33)29-11-9-19-4-3-10-28-18-19/h2-8,10,16-18H,9,11-15H2,1H3,(H,29,33)
InChIKeyQHRINEQPFJSOSZ-UHFFFAOYSA-N
MW469.55 g/mol
LogP3.51
Rot. Bonds7

About 3-(3-methoxyphenyl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide

3-(3-methoxyphenyl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide (PubChem CID 118463528) has the molecular formula C27H27N5O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide
PubChem CID118463528
Molecular FormulaC27H27N5O3
Molecular Weight469.55 g/mol
Exact Mass469.21
IUPAC Name3-(3-methoxyphenyl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide
SMILESCOc1cccc(-c2nc3cc(C(=O)NCCc4cccnc4)ccc3nc2N2CCOCC2)c1
InChIInChI=1S/C27H27N5O3/c1-34-22-6-2-5-20(16-22)25-26(32-12-14-35-15-13-32)31-23-8-7-21(17-24(23)30-25)27(33)29-11-9-19-4-3-10-28-18-19/h2-8,10,16-18H,9,11-15H2,1H3,(H,29,33)
InChIKeyQHRINEQPFJSOSZ-UHFFFAOYSA-N
XLogP3.51
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide (CID 118463528) is 3-(3-methoxyphenyl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide is COc1cccc(-c2nc3cc(C(=O)NCCc4cccnc4)ccc3nc2N2CCOCC2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide?
The InChIKey is QHRINEQPFJSOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3/c1-34-22-6-2-5-20(16-22)25-26(32-12-14-35-15-13-32)31-23-8-7-21(17-24(23)30-25)27(33)29-11-9-19-4-3-10-28-18-19/h2-8,10,16-18H,9,11-15H2,1H3,(H,29,33).
What are the key properties of 3-(3-methoxyphenyl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide?
3-(3-methoxyphenyl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide has a molecular weight of 469.55 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 118463528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).