4-(2-phenylmethoxycyclopentanecarbonyl)-1,3-dihydroquinoxalin-2-one

C21H22N2O3 — CID 163261649

IUPAC4-(2-phenylmethoxycyclopentanecarbonyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)C2CCCC2OCc2ccccc2)c2ccccc2N1
InChIInChI=1S/C21H22N2O3/c24-20-13-23(18-11-5-4-10-17(18)22-20)21(25)16-9-6-12-19(16)26-14-15-7-2-1-3-8-15/h1-5,7-8,10-11,16,19H,6,9,12-14H2,(H,22,24)
InChIKeyANLKEBXPKJLKBE-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.36
Rot. Bonds4

About 4-(2-phenylmethoxycyclopentanecarbonyl)-1,3-dihydroquinoxalin-2-one

4-(2-phenylmethoxycyclopentanecarbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 163261649) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-(2-phenylmethoxycyclopentanecarbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(2-phenylmethoxycyclopentanecarbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID163261649
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name4-(2-phenylmethoxycyclopentanecarbonyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)C2CCCC2OCc2ccccc2)c2ccccc2N1
InChIInChI=1S/C21H22N2O3/c24-20-13-23(18-11-5-4-10-17(18)22-20)21(25)16-9-6-12-19(16)26-14-15-7-2-1-3-8-15/h1-5,7-8,10-11,16,19H,6,9,12-14H2,(H,22,24)
InChIKeyANLKEBXPKJLKBE-UHFFFAOYSA-N
XLogP3.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-phenylmethoxycyclobutanecarbonyl)-1,3-dihydroquinoxalin-2-one
CID 163261604
ethane;4-(3-phenylmethoxypropanoyl)-1,3-dihydroquinoxalin-2-one
CID 163261620
4-(pyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 63006373
4-[2-(3-hydroxyphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 61399698
4-[2-[(2R)-2-benzylpyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 32745687
4-[2-(2-benzylpyrrolidin-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 126783225
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
(4S)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-1,3-oxazolidin-2-one
CID 167948208
4-(1-acetylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 110667506
1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-2-carboxylic acid
CID 119176060
4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
CID 54465544
4-(2-methylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 106738692

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylmethoxycyclopentanecarbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(2-phenylmethoxycyclopentanecarbonyl)-1,3-dihydroquinoxalin-2-one (CID 163261649) is 4-(2-phenylmethoxycyclopentanecarbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(2-phenylmethoxycyclopentanecarbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(2-phenylmethoxycyclopentanecarbonyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)C2CCCC2OCc2ccccc2)c2ccccc2N1.
What is the InChIKey of 4-(2-phenylmethoxycyclopentanecarbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is ANLKEBXPKJLKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-20-13-23(18-11-5-4-10-17(18)22-20)21(25)16-9-6-12-19(16)26-14-15-7-2-1-3-8-15/h1-5,7-8,10-11,16,19H,6,9,12-14H2,(H,22,24).
What are the key properties of 4-(2-phenylmethoxycyclopentanecarbonyl)-1,3-dihydroquinoxalin-2-one?
4-(2-phenylmethoxycyclopentanecarbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 350.42 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylmethoxycyclopentanecarbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 163261649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).