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

C20H20N2O3 — CID 163261604

IUPAC4-(3-phenylmethoxycyclobutanecarbonyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)C2CC(OCc3ccccc3)C2)c2ccccc2N1
InChIInChI=1S/C20H20N2O3/c23-19-12-22(18-9-5-4-8-17(18)21-19)20(24)15-10-16(11-15)25-13-14-6-2-1-3-7-14/h1-9,15-16H,10-13H2,(H,21,23)
InChIKeyQYDBRWCCQPLNPQ-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.97
Rot. Bonds4

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

4-(3-phenylmethoxycyclobutanecarbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 163261604) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-(3-phenylmethoxycyclobutanecarbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(3-phenylmethoxycyclobutanecarbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID163261604
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name4-(3-phenylmethoxycyclobutanecarbonyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)C2CC(OCc3ccccc3)C2)c2ccccc2N1
InChIInChI=1S/C20H20N2O3/c23-19-12-22(18-9-5-4-8-17(18)21-19)20(24)15-10-16(11-15)25-13-14-6-2-1-3-7-14/h1-9,15-16H,10-13H2,(H,21,23)
InChIKeyQYDBRWCCQPLNPQ-UHFFFAOYSA-N
XLogP2.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-phenylmethoxycyclopentanecarbonyl)-1,3-dihydroquinoxalin-2-one
CID 163261649
4-(2-methylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 106738692
ethane;4-(3-phenylmethoxypropanoyl)-1,3-dihydroquinoxalin-2-one
CID 163261620
4-(1-acetylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 110667506
4-[1-[(4-chlorophenyl)methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 45007672
3-phenylmethoxycyclobutane-1-carboxamide
CID 121012391
4-[2-(3-hydroxyphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 61399698
4-[1-[(2-fluorophenyl)methyl]piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 43925393
benzyl-ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
CID 8533354
4-[3-(methoxymethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 26263034
2-hydroxyethyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate
CID 79345427
4-[2-(thian-4-yl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 80708962

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylmethoxycyclobutanecarbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(3-phenylmethoxycyclobutanecarbonyl)-1,3-dihydroquinoxalin-2-one (CID 163261604) is 4-(3-phenylmethoxycyclobutanecarbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(3-phenylmethoxycyclobutanecarbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(3-phenylmethoxycyclobutanecarbonyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)C2CC(OCc3ccccc3)C2)c2ccccc2N1.
What is the InChIKey of 4-(3-phenylmethoxycyclobutanecarbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is QYDBRWCCQPLNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-19-12-22(18-9-5-4-8-17(18)21-19)20(24)15-10-16(11-15)25-13-14-6-2-1-3-7-14/h1-9,15-16H,10-13H2,(H,21,23).
What are the key properties of 4-(3-phenylmethoxycyclobutanecarbonyl)-1,3-dihydroquinoxalin-2-one?
4-(3-phenylmethoxycyclobutanecarbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 336.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylmethoxycyclobutanecarbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 163261604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).