3-[(Z)-2-hydroxy-2-naphthalen-2-ylethenyl]-1H-quinoxalin-2-one

C20H14N2O2 — CID 135612995

IUPAC3-[(Z)-2-hydroxy-2-naphthalen-2-ylethenyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1/C=C(\O)c1ccc2ccccc2c1
InChIInChI=1S/C20H14N2O2/c23-19(15-10-9-13-5-1-2-6-14(13)11-15)12-18-20(24)22-17-8-4-3-7-16(17)21-18/h1-12,23H,(H,22,24)/b19-12-
InChIKeyBDYQJCDIUYYWOZ-UNOMPAQXSA-N
MW314.34 g/mol
LogP4.13
Rot. Bonds2

About 3-[(Z)-2-hydroxy-2-naphthalen-2-ylethenyl]-1H-quinoxalin-2-one

3-[(Z)-2-hydroxy-2-naphthalen-2-ylethenyl]-1H-quinoxalin-2-one (PubChem CID 135612995) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-[(Z)-2-hydroxy-2-naphthalen-2-ylethenyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(Z)-2-hydroxy-2-naphthalen-2-ylethenyl]-1H-quinoxalin-2-one
PubChem CID135612995
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name3-[(Z)-2-hydroxy-2-naphthalen-2-ylethenyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1/C=C(\O)c1ccc2ccccc2c1
InChIInChI=1S/C20H14N2O2/c23-19(15-10-9-13-5-1-2-6-14(13)11-15)12-18-20(24)22-17-8-4-3-7-16(17)21-18/h1-12,23H,(H,22,24)/b19-12-
InChIKeyBDYQJCDIUYYWOZ-UNOMPAQXSA-N
XLogP4.13
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-[(Z)-2-hydroxy-2-(4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one
CID 135713003
3,4,5-trihydroxy-N-[3-[(E)-1-hydroxy-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]phenyl]benzamide
CID 135541452
3-(2-hydroxy-3,3-dimethylbut-1-enyl)-1H-quinoxalin-2-one
CID 702935
3-[(Z)-2-hydroxy-2-phenylethenyl]-7-nitro-1H-quinoxalin-2-one
CID 135493783
3-[(Z)-2-hydroxy-2-phenylethenyl]-6-nitro-1H-quinoxalin-2-one
CID 135403094
3-[(E)-hydroxyiminomethyl]-1H-quinoxalin-2-one
CID 137037919
7-chloro-3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-quinoxalin-2-one
CID 135493821
(Z)-3-(3-oxo-4H-quinoxalin-2-yl)prop-2-enoic acid
CID 2554781
2-[2-hydroxy-2-(3-methoxyphenyl)ethenyl]-N-(4-methoxyphenyl)-3-oxo-4H-quinoxaline-6-carboxamide
CID 136727404
3-[(Z)-2-(4-cyclohexylphenyl)-2-hydroxyethenyl]-2-oxo-1H-quinoxaline-6-carboxylic acid
CID 135777499
2-[(Z)-2-hydroxy-2-(4-methoxyphenyl)ethenyl]-3-oxo-N-(2-phenylethyl)-4H-quinoxaline-6-carboxamide
CID 135522116
3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-pyrido[2,3-b]pyrazin-2-one
CID 135580950

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-hydroxy-2-naphthalen-2-ylethenyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(Z)-2-hydroxy-2-naphthalen-2-ylethenyl]-1H-quinoxalin-2-one (CID 135612995) is 3-[(Z)-2-hydroxy-2-naphthalen-2-ylethenyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(Z)-2-hydroxy-2-naphthalen-2-ylethenyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(Z)-2-hydroxy-2-naphthalen-2-ylethenyl]-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1/C=C(\O)c1ccc2ccccc2c1.
What is the InChIKey of 3-[(Z)-2-hydroxy-2-naphthalen-2-ylethenyl]-1H-quinoxalin-2-one?
The InChIKey is BDYQJCDIUYYWOZ-UNOMPAQXSA-N. The full InChI is InChI=1S/C20H14N2O2/c23-19(15-10-9-13-5-1-2-6-14(13)11-15)12-18-20(24)22-17-8-4-3-7-16(17)21-18/h1-12,23H,(H,22,24)/b19-12-.
What are the key properties of 3-[(Z)-2-hydroxy-2-naphthalen-2-ylethenyl]-1H-quinoxalin-2-one?
3-[(Z)-2-hydroxy-2-naphthalen-2-ylethenyl]-1H-quinoxalin-2-one has a molecular weight of 314.34 g/mol, XLogP of 4.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-hydroxy-2-naphthalen-2-ylethenyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 135612995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).