1-(3-chloro-4-methoxyphenyl)quinoxalin-2-one;ethyl formate

C18H17ClN2O4 — CID 160953693

IUPAC1-(3-chloro-4-methoxyphenyl)quinoxalin-2-one;ethyl formate
SMILESCCOC=O.COc1ccc(-n2c(=O)cnc3ccccc32)cc1Cl
InChIInChI=1S/C15H11ClN2O2.C3H6O2/c1-20-14-7-6-10(8-11(14)16)18-13-5-3-2-4-12(13)17-9-15(18)19;1-2-5-3-4/h2-9H,1H3;3H,2H2,1H3
InChIKeySWCFXJMQNQYMBM-UHFFFAOYSA-N
MW360.80 g/mol
LogP3.23
Rot. Bonds4

About 1-(3-chloro-4-methoxyphenyl)quinoxalin-2-one;ethyl formate

1-(3-chloro-4-methoxyphenyl)quinoxalin-2-one;ethyl formate (PubChem CID 160953693) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)quinoxalin-2-one;ethyl formate.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)quinoxalin-2-one;ethyl formate
PubChem CID160953693
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC Name1-(3-chloro-4-methoxyphenyl)quinoxalin-2-one;ethyl formate
SMILESCCOC=O.COc1ccc(-n2c(=O)cnc3ccccc32)cc1Cl
InChIInChI=1S/C15H11ClN2O2.C3H6O2/c1-20-14-7-6-10(8-11(14)16)18-13-5-3-2-4-12(13)17-9-15(18)19;1-2-5-3-4/h2-9H,1H3;3H,2H2,1H3
InChIKeySWCFXJMQNQYMBM-UHFFFAOYSA-N
XLogP3.23
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)quinoxalin-2-one;ethyl formate?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)quinoxalin-2-one;ethyl formate (CID 160953693) is 1-(3-chloro-4-methoxyphenyl)quinoxalin-2-one;ethyl formate.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)quinoxalin-2-one;ethyl formate?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)quinoxalin-2-one;ethyl formate is CCOC=O.COc1ccc(-n2c(=O)cnc3ccccc32)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)quinoxalin-2-one;ethyl formate?
The InChIKey is SWCFXJMQNQYMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2.C3H6O2/c1-20-14-7-6-10(8-11(14)16)18-13-5-3-2-4-12(13)17-9-15(18)19;1-2-5-3-4/h2-9H,1H3;3H,2H2,1H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)quinoxalin-2-one;ethyl formate?
1-(3-chloro-4-methoxyphenyl)quinoxalin-2-one;ethyl formate has a molecular weight of 360.80 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)quinoxalin-2-one;ethyl formate is sourced from PubChem (CID 160953693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).