3-(3-methoxyphenyl)-2-piperidin-1-yl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide

C28H29N5O2 — CID 118463542

IUPAC3-(3-methoxyphenyl)-2-piperidin-1-yl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide
SMILESCOc1cccc(-c2nc3cc(C(=O)NCCc4cccnc4)ccc3nc2N2CCCCC2)c1
InChIInChI=1S/C28H29N5O2/c1-35-23-9-5-8-21(17-23)26-27(33-15-3-2-4-16-33)32-24-11-10-22(18-25(24)31-26)28(34)30-14-12-20-7-6-13-29-19-20/h5-11,13,17-19H,2-4,12,14-16H2,1H3,(H,30,34)
InChIKeyVPNUYGQUFGSDIK-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.66
Rot. Bonds7

About 3-(3-methoxyphenyl)-2-piperidin-1-yl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide

3-(3-methoxyphenyl)-2-piperidin-1-yl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide (PubChem CID 118463542) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2-piperidin-1-yl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2-piperidin-1-yl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide
PubChem CID118463542
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC Name3-(3-methoxyphenyl)-2-piperidin-1-yl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide
SMILESCOc1cccc(-c2nc3cc(C(=O)NCCc4cccnc4)ccc3nc2N2CCCCC2)c1
InChIInChI=1S/C28H29N5O2/c1-35-23-9-5-8-21(17-23)26-27(33-15-3-2-4-16-33)32-24-11-10-22(18-25(24)31-26)28(34)30-14-12-20-7-6-13-29-19-20/h5-11,13,17-19H,2-4,12,14-16H2,1H3,(H,30,34)
InChIKeyVPNUYGQUFGSDIK-UHFFFAOYSA-N
XLogP4.66
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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2-(Methylamino)pyrimidine 53
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2-(Methylamino)pyrimidine 56
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[4-[4-(4-Fluoro-3-methoxyanilino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-piperazin-1-ylmethanone
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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2-piperidin-1-yl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-2-piperidin-1-yl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide (CID 118463542) is 3-(3-methoxyphenyl)-2-piperidin-1-yl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-2-piperidin-1-yl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-2-piperidin-1-yl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide is COc1cccc(-c2nc3cc(C(=O)NCCc4cccnc4)ccc3nc2N2CCCCC2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-2-piperidin-1-yl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide?
The InChIKey is VPNUYGQUFGSDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-35-23-9-5-8-21(17-23)26-27(33-15-3-2-4-16-33)32-24-11-10-22(18-25(24)31-26)28(34)30-14-12-20-7-6-13-29-19-20/h5-11,13,17-19H,2-4,12,14-16H2,1H3,(H,30,34).
What are the key properties of 3-(3-methoxyphenyl)-2-piperidin-1-yl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide?
3-(3-methoxyphenyl)-2-piperidin-1-yl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-2-piperidin-1-yl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 118463542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).