6-[1-hydroxy-2-(1-methoxycyclobutyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione

C15H18N2O4 — CID 103557518

IUPAC6-[1-hydroxy-2-(1-methoxycyclobutyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCOC1(CC(O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CCC1
InChIInChI=1S/C15H18N2O4/c1-21-15(5-2-6-15)8-12(18)9-3-4-10-11(7-9)17-14(20)13(19)16-10/h3-4,7,12,18H,2,5-6,8H2,1H3,(H,16,19)(H,17,20)
InChIKeyUTNSCSOSLKCXPN-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.21
Rot. Bonds4

About 6-[1-hydroxy-2-(1-methoxycyclobutyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione

6-[1-hydroxy-2-(1-methoxycyclobutyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 103557518) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 6-[1-hydroxy-2-(1-methoxycyclobutyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[1-hydroxy-2-(1-methoxycyclobutyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID103557518
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name6-[1-hydroxy-2-(1-methoxycyclobutyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCOC1(CC(O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CCC1
InChIInChI=1S/C15H18N2O4/c1-21-15(5-2-6-15)8-12(18)9-3-4-10-11(7-9)17-14(20)13(19)16-10/h3-4,7,12,18H,2,5-6,8H2,1H3,(H,16,19)(H,17,20)
InChIKeyUTNSCSOSLKCXPN-UHFFFAOYSA-N
XLogP1.21
TPSA95.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[1-hydroxy-2-(1-methoxycyclobutyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione with MolForge

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Related Compounds

1-(4-chlorophenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103557502
1-(4-bromophenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103557499
2-(1-methoxycyclobutyl)-1-(4-propylphenyl)ethanol
CID 103557531
6-(1-hydroxyoctyl)-1,4-dihydroquinoxaline-2,3-dione
CID 61089199
1-(3-cyclobutylphenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103560284
6-[1-(ethylamino)-2-(1-methoxycyclobutyl)ethyl]-3H-1,3-benzoxazol-2-one
CID 103556245
1-(5-chlorothiophen-2-yl)-2-(1-methoxycyclobutyl)ethanol
CID 103557536
5-(1-hydroxy-2-sulfanylethyl)-1,3-dihydrobenzimidazol-2-one
CID 116830041
5-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 20613953
1-(4,5-dimethoxy-2-methylphenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103557562
6-[hydroxy(pyrrolidin-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 64868082
methyl 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanoate
CID 60860320

Frequently Asked Questions

What is the IUPAC name of 6-[1-hydroxy-2-(1-methoxycyclobutyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[1-hydroxy-2-(1-methoxycyclobutyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione (CID 103557518) is 6-[1-hydroxy-2-(1-methoxycyclobutyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[1-hydroxy-2-(1-methoxycyclobutyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[1-hydroxy-2-(1-methoxycyclobutyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione is COC1(CC(O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CCC1.
What is the InChIKey of 6-[1-hydroxy-2-(1-methoxycyclobutyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is UTNSCSOSLKCXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-21-15(5-2-6-15)8-12(18)9-3-4-10-11(7-9)17-14(20)13(19)16-10/h3-4,7,12,18H,2,5-6,8H2,1H3,(H,16,19)(H,17,20).
What are the key properties of 6-[1-hydroxy-2-(1-methoxycyclobutyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione?
6-[1-hydroxy-2-(1-methoxycyclobutyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 290.32 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-hydroxy-2-(1-methoxycyclobutyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 103557518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).