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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Related Compounds

US11866436, Example 168
CID 164915043
4-Methyl-3-({3-[2-(Methylamino)pyrimidin-4-Yl]pyridin-2-Yl}oxy)-N-[2-Morpholin-4-Yl-5-(Trifluoromethyl)phenyl]benzamide
CID 16040290
4-methyl-N-(2-morpholino-5-(trifluoromethyl)phenyl)-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)benzamide
CID 16108990
2-(Methylamino)pyrimidine 52
CID 23646931
4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N,N-dimethylbenzamide
CID 44521025
4-[6-(4-morpholin-4-ylbut-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
CID 121280705
4-[6-(5-morpholin-4-ylpent-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
CID 145059705
2-(4-Ethoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)carbonyl]quinoline
CID 3238892
Piperazine, 1-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-4-benzoyl-
CID 11374836
4-methoxy-N-(1,10-phenanthrolin-2-yl)benzamide
CID 14896600
4-(2-methyl-4-(6-(2-morpholinoethylamino)pyrido[3,4-d]pyrimidin-4-ylamino)phenoxy)-N-neopentylbenzamide
CID 44426287
4-(2-methyl-4-(6-morpholinopyrido[3,4-d]pyrimidin-4-ylamino)phenoxy)-N-neopentylbenzamide
CID 44426290

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).