[3-(2-methyl-4-pyridinyl)-2-phenylquinoxalin-6-yl]-piperidin-1-ylmethanone

C26H24N4O — CID 135300435

IUPAC[3-(2-methyl-4-pyridinyl)-2-phenylquinoxalin-6-yl]-piperidin-1-ylmethanone
SMILESCc1cc(-c2nc3cc(C(=O)N4CCCCC4)ccc3nc2-c2ccccc2)ccn1
InChIInChI=1S/C26H24N4O/c1-18-16-20(12-13-27-18)25-24(19-8-4-2-5-9-19)28-22-11-10-21(17-23(22)29-25)26(31)30-14-6-3-7-15-30/h2,4-5,8-13,16-17H,3,6-7,14-15H2,1H3
InChIKeyBBNLJYNAWNSNST-UHFFFAOYSA-N
MW408.51 g/mol
LogP5.29
Rot. Bonds3

About [3-(2-methyl-4-pyridinyl)-2-phenylquinoxalin-6-yl]-piperidin-1-ylmethanone

[3-(2-methyl-4-pyridinyl)-2-phenylquinoxalin-6-yl]-piperidin-1-ylmethanone (PubChem CID 135300435) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is [3-(2-methyl-4-pyridinyl)-2-phenylquinoxalin-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(2-methyl-4-pyridinyl)-2-phenylquinoxalin-6-yl]-piperidin-1-ylmethanone
PubChem CID135300435
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC Name[3-(2-methyl-4-pyridinyl)-2-phenylquinoxalin-6-yl]-piperidin-1-ylmethanone
SMILESCc1cc(-c2nc3cc(C(=O)N4CCCCC4)ccc3nc2-c2ccccc2)ccn1
InChIInChI=1S/C26H24N4O/c1-18-16-20(12-13-27-18)25-24(19-8-4-2-5-9-19)28-22-11-10-21(17-23(22)29-25)26(31)30-14-6-3-7-15-30/h2,4-5,8-13,16-17H,3,6-7,14-15H2,1H3
InChIKeyBBNLJYNAWNSNST-UHFFFAOYSA-N
XLogP5.29
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methyl-4-pyridinyl)-2-phenylquinoxalin-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(2-methyl-4-pyridinyl)-2-phenylquinoxalin-6-yl]-piperidin-1-ylmethanone (CID 135300435) is [3-(2-methyl-4-pyridinyl)-2-phenylquinoxalin-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(2-methyl-4-pyridinyl)-2-phenylquinoxalin-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(2-methyl-4-pyridinyl)-2-phenylquinoxalin-6-yl]-piperidin-1-ylmethanone is Cc1cc(-c2nc3cc(C(=O)N4CCCCC4)ccc3nc2-c2ccccc2)ccn1.
What is the InChIKey of [3-(2-methyl-4-pyridinyl)-2-phenylquinoxalin-6-yl]-piperidin-1-ylmethanone?
The InChIKey is BBNLJYNAWNSNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O/c1-18-16-20(12-13-27-18)25-24(19-8-4-2-5-9-19)28-22-11-10-21(17-23(22)29-25)26(31)30-14-6-3-7-15-30/h2,4-5,8-13,16-17H,3,6-7,14-15H2,1H3.
What are the key properties of [3-(2-methyl-4-pyridinyl)-2-phenylquinoxalin-6-yl]-piperidin-1-ylmethanone?
[3-(2-methyl-4-pyridinyl)-2-phenylquinoxalin-6-yl]-piperidin-1-ylmethanone has a molecular weight of 408.51 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methyl-4-pyridinyl)-2-phenylquinoxalin-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 135300435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).