2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-1-(4-methoxyphenyl)ethanone

C23H16ClN3O2 — CID 156905709

IUPAC2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cn2c3ccc(Cl)cc3c3nc4ccccc4nc32)cc1
InChIInChI=1S/C23H16ClN3O2/c1-29-16-9-6-14(7-10-16)21(28)13-27-20-11-8-15(24)12-17(20)22-23(27)26-19-5-3-2-4-18(19)25-22/h2-12H,13H2,1H3
InChIKeyNKVYCDFWMSMEHD-UHFFFAOYSA-N
MW401.85 g/mol
LogP5.28
Rot. Bonds4

About 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-1-(4-methoxyphenyl)ethanone

2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-1-(4-methoxyphenyl)ethanone (PubChem CID 156905709) has the molecular formula C23H16ClN3O2 and a molecular weight of 401.85 g/mol. Its IUPAC name is 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-1-(4-methoxyphenyl)ethanone
PubChem CID156905709
Molecular FormulaC23H16ClN3O2
Molecular Weight401.85 g/mol
Exact Mass401.09
IUPAC Name2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cn2c3ccc(Cl)cc3c3nc4ccccc4nc32)cc1
InChIInChI=1S/C23H16ClN3O2/c1-29-16-9-6-14(7-10-16)21(28)13-27-20-11-8-15(24)12-17(20)22-23(27)26-19-5-3-2-4-18(19)25-22/h2-12H,13H2,1H3
InChIKeyNKVYCDFWMSMEHD-UHFFFAOYSA-N
XLogP5.28
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.85
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-1-(4-methoxyphenyl)ethanone (CID 156905709) is 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)Cn2c3ccc(Cl)cc3c3nc4ccccc4nc32)cc1.
What is the InChIKey of 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-1-(4-methoxyphenyl)ethanone?
The InChIKey is NKVYCDFWMSMEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O2/c1-29-16-9-6-14(7-10-16)21(28)13-27-20-11-8-15(24)12-17(20)22-23(27)26-19-5-3-2-4-18(19)25-22/h2-12H,13H2,1H3.
What are the key properties of 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-1-(4-methoxyphenyl)ethanone?
2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-1-(4-methoxyphenyl)ethanone has a molecular weight of 401.85 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 156905709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).