(6,7-dimethyl-3-propan-2-yloxyquinoxalin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C23H27N5O2 — CID 50779913

IUPAC(6,7-dimethyl-3-propan-2-yloxyquinoxalin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc2nc(OC(C)C)c(C(=O)N3CCN(c4ccccn4)CC3)nc2cc1C
InChIInChI=1S/C23H27N5O2/c1-15(2)30-22-21(25-18-13-16(3)17(4)14-19(18)26-22)23(29)28-11-9-27(10-12-28)20-7-5-6-8-24-20/h5-8,13-15H,9-12H2,1-4H3
InChIKeyABEPWTIELWNBLW-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.39
Rot. Bonds4

About (6,7-dimethyl-3-propan-2-yloxyquinoxalin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(6,7-dimethyl-3-propan-2-yloxyquinoxalin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 50779913) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is (6,7-dimethyl-3-propan-2-yloxyquinoxalin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6,7-dimethyl-3-propan-2-yloxyquinoxalin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID50779913
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name(6,7-dimethyl-3-propan-2-yloxyquinoxalin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc2nc(OC(C)C)c(C(=O)N3CCN(c4ccccn4)CC3)nc2cc1C
InChIInChI=1S/C23H27N5O2/c1-15(2)30-22-21(25-18-13-16(3)17(4)14-19(18)26-22)23(29)28-11-9-27(10-12-28)20-7-5-6-8-24-20/h5-8,13-15H,9-12H2,1-4H3
InChIKeyABEPWTIELWNBLW-UHFFFAOYSA-N
XLogP3.39
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6,7-dimethyl-3-propan-2-yloxyquinoxalin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

(3,4-dimethoxy-2-pyridinyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 166391089
(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 925511
2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 2976964
(2S)-2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 1254913
(2-butan-2-yloxy-4-pyridinyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 75472306
[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 97337826
[5-(3,4-dimethylanilino)-2H-triazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 50929301
[2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363662
(2S)-2-(4-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 7354583
[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 146078192
(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 53040756
(1,5-dimethylpyrazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 44757097

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethyl-3-propan-2-yloxyquinoxalin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (6,7-dimethyl-3-propan-2-yloxyquinoxalin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 50779913) is (6,7-dimethyl-3-propan-2-yloxyquinoxalin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (6,7-dimethyl-3-propan-2-yloxyquinoxalin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (6,7-dimethyl-3-propan-2-yloxyquinoxalin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1cc2nc(OC(C)C)c(C(=O)N3CCN(c4ccccn4)CC3)nc2cc1C.
What is the InChIKey of (6,7-dimethyl-3-propan-2-yloxyquinoxalin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is ABEPWTIELWNBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-15(2)30-22-21(25-18-13-16(3)17(4)14-19(18)26-22)23(29)28-11-9-27(10-12-28)20-7-5-6-8-24-20/h5-8,13-15H,9-12H2,1-4H3.
What are the key properties of (6,7-dimethyl-3-propan-2-yloxyquinoxalin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(6,7-dimethyl-3-propan-2-yloxyquinoxalin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 405.50 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethyl-3-propan-2-yloxyquinoxalin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 50779913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).