4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one

C21H23N3O3 — CID 9167526

IUPAC4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one
SMILESC=CCOc1ccc(CN(C)CC(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C21H23N3O3/c1-3-12-27-17-10-8-16(9-11-17)13-23(2)15-21(26)24-14-20(25)22-18-6-4-5-7-19(18)24/h3-11H,1,12-15H2,2H3,(H,22,25)
InChIKeyXDAOFQPBJKYCBD-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.67
Rot. Bonds7

About 4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one

4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 9167526) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID9167526
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one
SMILESC=CCOc1ccc(CN(C)CC(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C21H23N3O3/c1-3-12-27-17-10-8-16(9-11-17)13-23(2)15-21(26)24-14-20(25)22-18-6-4-5-7-19(18)24/h3-11H,1,12-15H2,2H3,(H,22,25)
InChIKeyXDAOFQPBJKYCBD-UHFFFAOYSA-N
XLogP2.67
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 8746830
4-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9103714
4-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 26860602
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 35623009
4-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile
CID 7818538
4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 16864023
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-phenylphenoxy)acetate
CID 9140470
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-methoxyphenoxy)acetate
CID 2438205
4-(2-naphthalen-2-ylacetyl)-1,3-dihydroquinoxalin-2-one
CID 16864035
(4S)-5-[2-[(4-bromophenyl)methyl-methylamino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 8539604
4-[3-(4-methylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41453577
4-chloro-N-methyl-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]benzenesulfonamide
CID 51142515

Frequently Asked Questions

What is the IUPAC name of 4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one (CID 9167526) is 4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one is C=CCOc1ccc(CN(C)CC(=O)N2CC(=O)Nc3ccccc32)cc1.
What is the InChIKey of 4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is XDAOFQPBJKYCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-3-12-27-17-10-8-16(9-11-17)13-23(2)15-21(26)24-14-20(25)22-18-6-4-5-7-19(18)24/h3-11H,1,12-15H2,2H3,(H,22,25).
What are the key properties of 4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 365.43 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 9167526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).