3-[3-(8-chloro-3-methyl-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)phenyl]-1,3-oxazolidin-2-one;ethane

C23H22ClN3O3 — CID 144861903

IUPAC3-[3-(8-chloro-3-methyl-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)phenyl]-1,3-oxazolidin-2-one;ethane
SMILESCC.Cc1c(-c2cccc(N3CCOC3=O)c2)c2[nH]c3ccc(Cl)cc3c2[nH]c1=O
InChIInChI=1S/C21H16ClN3O3.C2H6/c1-11-17(12-3-2-4-14(9-12)25-7-8-28-21(25)27)19-18(24-20(11)26)15-10-13(22)5-6-16(15)23-19;1-2/h2-6,9-10,23H,7-8H2,1H3,(H,24,26);1-2H3
InChIKeyHWVLSWBIJPLYJM-UHFFFAOYSA-N
MW423.90 g/mol
LogP5.62
Rot. Bonds2

About 3-[3-(8-chloro-3-methyl-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)phenyl]-1,3-oxazolidin-2-one;ethane

3-[3-(8-chloro-3-methyl-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)phenyl]-1,3-oxazolidin-2-one;ethane (PubChem CID 144861903) has the molecular formula C23H22ClN3O3 and a molecular weight of 423.90 g/mol. Its IUPAC name is 3-[3-(8-chloro-3-methyl-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)phenyl]-1,3-oxazolidin-2-one;ethane.

Molecular Properties

Compound Name3-[3-(8-chloro-3-methyl-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)phenyl]-1,3-oxazolidin-2-one;ethane
PubChem CID144861903
Molecular FormulaC23H22ClN3O3
Molecular Weight423.90 g/mol
Exact Mass423.13
IUPAC Name3-[3-(8-chloro-3-methyl-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)phenyl]-1,3-oxazolidin-2-one;ethane
SMILESCC.Cc1c(-c2cccc(N3CCOC3=O)c2)c2[nH]c3ccc(Cl)cc3c2[nH]c1=O
InChIInChI=1S/C21H16ClN3O3.C2H6/c1-11-17(12-3-2-4-14(9-12)25-7-8-28-21(25)27)19-18(24-20(11)26)15-10-13(22)5-6-16(15)23-19;1-2/h2-6,9-10,23H,7-8H2,1H3,(H,24,26);1-2H3
InChIKeyHWVLSWBIJPLYJM-UHFFFAOYSA-N
XLogP5.62
TPSA78.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.90
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(8-chloro-3-methyl-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)phenyl]-1,3-oxazolidin-2-one;ethane?
The IUPAC name of 3-[3-(8-chloro-3-methyl-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)phenyl]-1,3-oxazolidin-2-one;ethane (CID 144861903) is 3-[3-(8-chloro-3-methyl-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)phenyl]-1,3-oxazolidin-2-one;ethane.
What is the SMILES notation for 3-[3-(8-chloro-3-methyl-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)phenyl]-1,3-oxazolidin-2-one;ethane?
The canonical SMILES for 3-[3-(8-chloro-3-methyl-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)phenyl]-1,3-oxazolidin-2-one;ethane is CC.Cc1c(-c2cccc(N3CCOC3=O)c2)c2[nH]c3ccc(Cl)cc3c2[nH]c1=O.
What is the InChIKey of 3-[3-(8-chloro-3-methyl-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)phenyl]-1,3-oxazolidin-2-one;ethane?
The InChIKey is HWVLSWBIJPLYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3.C2H6/c1-11-17(12-3-2-4-14(9-12)25-7-8-28-21(25)27)19-18(24-20(11)26)15-10-13(22)5-6-16(15)23-19;1-2/h2-6,9-10,23H,7-8H2,1H3,(H,24,26);1-2H3.
What are the key properties of 3-[3-(8-chloro-3-methyl-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)phenyl]-1,3-oxazolidin-2-one;ethane?
3-[3-(8-chloro-3-methyl-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)phenyl]-1,3-oxazolidin-2-one;ethane has a molecular weight of 423.90 g/mol, XLogP of 5.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(8-chloro-3-methyl-2-oxo-1,5-dihydropyrido[3,2-b]indol-4-yl)phenyl]-1,3-oxazolidin-2-one;ethane is sourced from PubChem (CID 144861903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).