N-(4-methylphenyl)-2-[3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-2-yl]oxyacetamide

C24H20N4O2 — CID 127030509

IUPACN-(4-methylphenyl)-2-[3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-2-yl]oxyacetamide
SMILESCc1ccc(NC(=O)COc2nc3ccccc3nc2/C=C\c2ccncc2)cc1
InChIInChI=1S/C24H20N4O2/c1-17-6-9-19(10-7-17)26-23(29)16-30-24-22(11-8-18-12-14-25-15-13-18)27-20-4-2-3-5-21(20)28-24/h2-15H,16H2,1H3,(H,26,29)/b11-8-
InChIKeyOTPTUTRBJISKRJ-FLIBITNWSA-N
MW396.45 g/mol
LogP4.52
Rot. Bonds6

About N-(4-methylphenyl)-2-[3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-2-yl]oxyacetamide

N-(4-methylphenyl)-2-[3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-2-yl]oxyacetamide (PubChem CID 127030509) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-2-yl]oxyacetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-2-yl]oxyacetamide
PubChem CID127030509
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC NameN-(4-methylphenyl)-2-[3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-2-yl]oxyacetamide
SMILESCc1ccc(NC(=O)COc2nc3ccccc3nc2/C=C\c2ccncc2)cc1
InChIInChI=1S/C24H20N4O2/c1-17-6-9-19(10-7-17)26-23(29)16-30-24-22(11-8-18-12-14-25-15-13-18)27-20-4-2-3-5-21(20)28-24/h2-15H,16H2,1H3,(H,26,29)/b11-8-
InChIKeyOTPTUTRBJISKRJ-FLIBITNWSA-N
XLogP4.52
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-2-yl]oxyacetamide?
The IUPAC name of N-(4-methylphenyl)-2-[3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-2-yl]oxyacetamide (CID 127030509) is N-(4-methylphenyl)-2-[3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-2-yl]oxyacetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-2-yl]oxyacetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-2-yl]oxyacetamide is Cc1ccc(NC(=O)COc2nc3ccccc3nc2/C=C\c2ccncc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-2-yl]oxyacetamide?
The InChIKey is OTPTUTRBJISKRJ-FLIBITNWSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-17-6-9-19(10-7-17)26-23(29)16-30-24-22(11-8-18-12-14-25-15-13-18)27-20-4-2-3-5-21(20)28-24/h2-15H,16H2,1H3,(H,26,29)/b11-8-.
What are the key properties of N-(4-methylphenyl)-2-[3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-2-yl]oxyacetamide?
N-(4-methylphenyl)-2-[3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-2-yl]oxyacetamide has a molecular weight of 396.45 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-2-yl]oxyacetamide is sourced from PubChem (CID 127030509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).