3-ethyl-6-[(4-oxopiperidin-1-yl)-phenylmethyl]-1H-quinoxalin-2-one

C22H23N3O2 — CID 59596213

IUPAC3-ethyl-6-[(4-oxopiperidin-1-yl)-phenylmethyl]-1H-quinoxalin-2-one
SMILESCCc1nc2cc(C(c3ccccc3)N3CCC(=O)CC3)ccc2[nH]c1=O
InChIInChI=1S/C22H23N3O2/c1-2-18-22(27)24-19-9-8-16(14-20(19)23-18)21(15-6-4-3-5-7-15)25-12-10-17(26)11-13-25/h3-9,14,21H,2,10-13H2,1H3,(H,24,27)
InChIKeyANRDQAGUDHGKLT-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.24
Rot. Bonds4

About 3-ethyl-6-[(4-oxopiperidin-1-yl)-phenylmethyl]-1H-quinoxalin-2-one

3-ethyl-6-[(4-oxopiperidin-1-yl)-phenylmethyl]-1H-quinoxalin-2-one (PubChem CID 59596213) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-ethyl-6-[(4-oxopiperidin-1-yl)-phenylmethyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-ethyl-6-[(4-oxopiperidin-1-yl)-phenylmethyl]-1H-quinoxalin-2-one
PubChem CID59596213
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name3-ethyl-6-[(4-oxopiperidin-1-yl)-phenylmethyl]-1H-quinoxalin-2-one
SMILESCCc1nc2cc(C(c3ccccc3)N3CCC(=O)CC3)ccc2[nH]c1=O
InChIInChI=1S/C22H23N3O2/c1-2-18-22(27)24-19-9-8-16(14-20(19)23-18)21(15-6-4-3-5-7-15)25-12-10-17(26)11-13-25/h3-9,14,21H,2,10-13H2,1H3,(H,24,27)
InChIKeyANRDQAGUDHGKLT-UHFFFAOYSA-N
XLogP3.24
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-6-[(4-oxopiperidin-1-yl)-phenylmethyl]-1H-quinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[1-(ethenylamino)-2-methylpropyl]-3-ethyl-1H-quinoxalin-2-one
CID 143057301
3-ethyl-6-(2-methylpropanoyl)-1H-quinoxalin-2-one
CID 58442705
6-[2-(4-chlorophenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-ethyl-1H-quinoxalin-2-one
CID 58836861
1-[1-(4-chlorophenyl)-3-(3-ethyl-2-oxo-1H-quinoxalin-6-yl)propyl]piperidine-4-carboxamide
CID 58836860
2-[(1R)-1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 135954337
3-ethyl-6,7-dimethyl-1H-quinoxalin-2-one;1,4,5-trimethyl-2-phenylpyrazol-3-one
CID 158009297
6-[2-(4-chlorophenyl)-2-[(4R)-4-methyl-4,5-dihydroazepin-1-yl]ethyl]-3-ethyl-1H-quinoxalin-2-one
CID 143057195
1-[(4-ethylphenyl)-phenylmethyl]piperazine
CID 3530514
3-[(S)-(4-benzhydrylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]-6-ethyl-1H-quinolin-2-one
CID 92763961
3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dimethyl-1H-quinoxalin-2-one
CID 46390383
2-oxo-3-(3-phenylpropyl)-1H-quinoxaline-6-carboxylic acid
CID 142706844
3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110799968

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-[(4-oxopiperidin-1-yl)-phenylmethyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-ethyl-6-[(4-oxopiperidin-1-yl)-phenylmethyl]-1H-quinoxalin-2-one (CID 59596213) is 3-ethyl-6-[(4-oxopiperidin-1-yl)-phenylmethyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-ethyl-6-[(4-oxopiperidin-1-yl)-phenylmethyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-ethyl-6-[(4-oxopiperidin-1-yl)-phenylmethyl]-1H-quinoxalin-2-one is CCc1nc2cc(C(c3ccccc3)N3CCC(=O)CC3)ccc2[nH]c1=O.
What is the InChIKey of 3-ethyl-6-[(4-oxopiperidin-1-yl)-phenylmethyl]-1H-quinoxalin-2-one?
The InChIKey is ANRDQAGUDHGKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-2-18-22(27)24-19-9-8-16(14-20(19)23-18)21(15-6-4-3-5-7-15)25-12-10-17(26)11-13-25/h3-9,14,21H,2,10-13H2,1H3,(H,24,27).
What are the key properties of 3-ethyl-6-[(4-oxopiperidin-1-yl)-phenylmethyl]-1H-quinoxalin-2-one?
3-ethyl-6-[(4-oxopiperidin-1-yl)-phenylmethyl]-1H-quinoxalin-2-one has a molecular weight of 361.45 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-[(4-oxopiperidin-1-yl)-phenylmethyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 59596213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).