6-chloro-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-1,3-benzoxazol-2-one

C17H12ClN3O4 — CID 8986347

IUPAC6-chloro-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-1,3-benzoxazol-2-one
SMILESO=C1CN(C(=O)Cn2c(=O)oc3cc(Cl)ccc32)c2ccccc2N1
InChIInChI=1S/C17H12ClN3O4/c18-10-5-6-13-14(7-10)25-17(24)21(13)9-16(23)20-8-15(22)19-11-3-1-2-4-12(11)20/h1-7H,8-9H2,(H,19,22)
InChIKeyVNVQGEJQAWBELE-UHFFFAOYSA-N
MW357.75 g/mol
LogP2.23
Rot. Bonds2

About 6-chloro-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-1,3-benzoxazol-2-one

6-chloro-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-1,3-benzoxazol-2-one (PubChem CID 8986347) has the molecular formula C17H12ClN3O4 and a molecular weight of 357.75 g/mol. Its IUPAC name is 6-chloro-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-chloro-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-1,3-benzoxazol-2-one
PubChem CID8986347
Molecular FormulaC17H12ClN3O4
Molecular Weight357.75 g/mol
Exact Mass357.05
IUPAC Name6-chloro-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-1,3-benzoxazol-2-one
SMILESO=C1CN(C(=O)Cn2c(=O)oc3cc(Cl)ccc32)c2ccccc2N1
InChIInChI=1S/C17H12ClN3O4/c18-10-5-6-13-14(7-10)25-17(24)21(13)9-16(23)20-8-15(22)19-11-3-1-2-4-12(11)20/h1-7H,8-9H2,(H,19,22)
InChIKeyVNVQGEJQAWBELE-UHFFFAOYSA-N
XLogP2.23
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.75
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-1,3-benzoxazol-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-nitro-3-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butyl]-1,3-benzoxazol-2-one
CID 26263040
4-[3-(4-chlorophenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 51280680
4-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9390348
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide
CID 20949278
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide
CID 8986285
4-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 8898891
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 8986901
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropylacetamide
CID 8986163
4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 7774495
4-chloro-N-methyl-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]benzenesulfonamide
CID 51142515
1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione
CID 55474513
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3-chlorophenoxy)acetate
CID 7803707

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 6-chloro-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-1,3-benzoxazol-2-one (CID 8986347) is 6-chloro-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-chloro-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 6-chloro-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-1,3-benzoxazol-2-one is O=C1CN(C(=O)Cn2c(=O)oc3cc(Cl)ccc32)c2ccccc2N1.
What is the InChIKey of 6-chloro-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-1,3-benzoxazol-2-one?
The InChIKey is VNVQGEJQAWBELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O4/c18-10-5-6-13-14(7-10)25-17(24)21(13)9-16(23)20-8-15(22)19-11-3-1-2-4-12(11)20/h1-7H,8-9H2,(H,19,22).
What are the key properties of 6-chloro-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-1,3-benzoxazol-2-one?
6-chloro-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-1,3-benzoxazol-2-one has a molecular weight of 357.75 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 8986347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).