4-[2-chloro-4-(hydroxymethyl)phenyl]-1,3-dihydroquinoxalin-2-one

C15H13ClN2O2 — CID 81152428

IUPAC4-[2-chloro-4-(hydroxymethyl)phenyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(c2ccc(CO)cc2Cl)c2ccccc2N1
InChIInChI=1S/C15H13ClN2O2/c16-11-7-10(9-19)5-6-13(11)18-8-15(20)17-12-3-1-2-4-14(12)18/h1-7,19H,8-9H2,(H,17,20)
InChIKeyVEBIWPFMWFANOQ-UHFFFAOYSA-N
MW288.73 g/mol
LogP2.92
Rot. Bonds2

About 4-[2-chloro-4-(hydroxymethyl)phenyl]-1,3-dihydroquinoxalin-2-one

4-[2-chloro-4-(hydroxymethyl)phenyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 81152428) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 4-[2-chloro-4-(hydroxymethyl)phenyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-chloro-4-(hydroxymethyl)phenyl]-1,3-dihydroquinoxalin-2-one
PubChem CID81152428
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name4-[2-chloro-4-(hydroxymethyl)phenyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(c2ccc(CO)cc2Cl)c2ccccc2N1
InChIInChI=1S/C15H13ClN2O2/c16-11-7-10(9-19)5-6-13(11)18-8-15(20)17-12-3-1-2-4-14(12)18/h1-7,19H,8-9H2,(H,17,20)
InChIKeyVEBIWPFMWFANOQ-UHFFFAOYSA-N
XLogP2.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-(hydroxymethyl)phenyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-chloro-4-(hydroxymethyl)phenyl]-1,3-dihydroquinoxalin-2-one (CID 81152428) is 4-[2-chloro-4-(hydroxymethyl)phenyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-chloro-4-(hydroxymethyl)phenyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-chloro-4-(hydroxymethyl)phenyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(c2ccc(CO)cc2Cl)c2ccccc2N1.
What is the InChIKey of 4-[2-chloro-4-(hydroxymethyl)phenyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is VEBIWPFMWFANOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-11-7-10(9-19)5-6-13(11)18-8-15(20)17-12-3-1-2-4-14(12)18/h1-7,19H,8-9H2,(H,17,20).
What are the key properties of 4-[2-chloro-4-(hydroxymethyl)phenyl]-1,3-dihydroquinoxalin-2-one?
4-[2-chloro-4-(hydroxymethyl)phenyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 288.73 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-(hydroxymethyl)phenyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 81152428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).