1-[(2,6-dichlorophenyl)methyl]-3,4-dihydroquinoxalin-2-one

C15H12Cl2N2O — CID 62874448

IUPAC1-[(2,6-dichlorophenyl)methyl]-3,4-dihydroquinoxalin-2-one
SMILESO=C1CNc2ccccc2N1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H12Cl2N2O/c16-11-4-3-5-12(17)10(11)9-19-14-7-2-1-6-13(14)18-8-15(19)20/h1-7,18H,8-9H2
InChIKeySLLMQQCUJFKYGP-UHFFFAOYSA-N
MW307.18 g/mol
LogP3.95
Rot. Bonds2

About 1-[(2,6-dichlorophenyl)methyl]-3,4-dihydroquinoxalin-2-one

1-[(2,6-dichlorophenyl)methyl]-3,4-dihydroquinoxalin-2-one (PubChem CID 62874448) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-3,4-dihydroquinoxalin-2-one
PubChem CID62874448
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-3,4-dihydroquinoxalin-2-one
SMILESO=C1CNc2ccccc2N1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H12Cl2N2O/c16-11-4-3-5-12(17)10(11)9-19-14-7-2-1-6-13(14)18-8-15(19)20/h1-7,18H,8-9H2
InChIKeySLLMQQCUJFKYGP-UHFFFAOYSA-N
XLogP3.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-3,4-dihydroquinoxalin-2-one (CID 62874448) is 1-[(2,6-dichlorophenyl)methyl]-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-3,4-dihydroquinoxalin-2-one is O=C1CNc2ccccc2N1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-3,4-dihydroquinoxalin-2-one?
The InChIKey is SLLMQQCUJFKYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c16-11-4-3-5-12(17)10(11)9-19-14-7-2-1-6-13(14)18-8-15(19)20/h1-7,18H,8-9H2.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-3,4-dihydroquinoxalin-2-one?
1-[(2,6-dichlorophenyl)methyl]-3,4-dihydroquinoxalin-2-one has a molecular weight of 307.18 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 62874448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).