4-[2-(3-chloroanilino)acetyl]-1,3-dihydroquinoxalin-2-one

C16H14ClN3O2 — CID 37474303

IUPAC4-[2-(3-chloroanilino)acetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)CNc2cccc(Cl)c2)c2ccccc2N1
InChIInChI=1S/C16H14ClN3O2/c17-11-4-3-5-12(8-11)18-9-16(22)20-10-15(21)19-13-6-1-2-7-14(13)20/h1-8,18H,9-10H2,(H,19,21)
InChIKeyDVFFNVOVNDXLRO-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.74
Rot. Bonds3

About 4-[2-(3-chloroanilino)acetyl]-1,3-dihydroquinoxalin-2-one

4-[2-(3-chloroanilino)acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 37474303) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 4-[2-(3-chloroanilino)acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(3-chloroanilino)acetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID37474303
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name4-[2-(3-chloroanilino)acetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)CNc2cccc(Cl)c2)c2ccccc2N1
InChIInChI=1S/C16H14ClN3O2/c17-11-4-3-5-12(8-11)18-9-16(22)20-10-15(21)19-13-6-1-2-7-14(13)20/h1-8,18H,9-10H2,(H,19,21)
InChIKeyDVFFNVOVNDXLRO-UHFFFAOYSA-N
XLogP2.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chloroanilino)acetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(3-chloroanilino)acetyl]-1,3-dihydroquinoxalin-2-one (CID 37474303) is 4-[2-(3-chloroanilino)acetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(3-chloroanilino)acetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(3-chloroanilino)acetyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)CNc2cccc(Cl)c2)c2ccccc2N1.
What is the InChIKey of 4-[2-(3-chloroanilino)acetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is DVFFNVOVNDXLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c17-11-4-3-5-12(8-11)18-9-16(22)20-10-15(21)19-13-6-1-2-7-14(13)20/h1-8,18H,9-10H2,(H,19,21).
What are the key properties of 4-[2-(3-chloroanilino)acetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(3-chloroanilino)acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 315.76 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chloroanilino)acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 37474303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).