3-methyl-4-[3-(1,2,4-oxadiazol-3-yl)phenyl]-1,5-dihydropyrido[3,2-b]indol-2-one

C20H14N4O2 — CID 118140094

IUPAC3-methyl-4-[3-(1,2,4-oxadiazol-3-yl)phenyl]-1,5-dihydropyrido[3,2-b]indol-2-one
SMILESCc1c(-c2cccc(-c3ncon3)c2)c2[nH]c3ccccc3c2[nH]c1=O
InChIInChI=1S/C20H14N4O2/c1-11-16(12-5-4-6-13(9-12)19-21-10-26-24-19)18-17(23-20(11)25)14-7-2-3-8-15(14)22-18/h2-10,22H,1H3,(H,23,25)
InChIKeySYIVCGMKIIKXKH-UHFFFAOYSA-N
MW342.36 g/mol
LogP4.03
Rot. Bonds2

About 3-methyl-4-[3-(1,2,4-oxadiazol-3-yl)phenyl]-1,5-dihydropyrido[3,2-b]indol-2-one

3-methyl-4-[3-(1,2,4-oxadiazol-3-yl)phenyl]-1,5-dihydropyrido[3,2-b]indol-2-one (PubChem CID 118140094) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 3-methyl-4-[3-(1,2,4-oxadiazol-3-yl)phenyl]-1,5-dihydropyrido[3,2-b]indol-2-one.

Molecular Properties

Compound Name3-methyl-4-[3-(1,2,4-oxadiazol-3-yl)phenyl]-1,5-dihydropyrido[3,2-b]indol-2-one
PubChem CID118140094
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name3-methyl-4-[3-(1,2,4-oxadiazol-3-yl)phenyl]-1,5-dihydropyrido[3,2-b]indol-2-one
SMILESCc1c(-c2cccc(-c3ncon3)c2)c2[nH]c3ccccc3c2[nH]c1=O
InChIInChI=1S/C20H14N4O2/c1-11-16(12-5-4-6-13(9-12)19-21-10-26-24-19)18-17(23-20(11)25)14-7-2-3-8-15(14)22-18/h2-10,22H,1H3,(H,23,25)
InChIKeySYIVCGMKIIKXKH-UHFFFAOYSA-N
XLogP4.03
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[3-(1,2,4-oxadiazol-3-yl)phenyl]-1,5-dihydropyrido[3,2-b]indol-2-one?
The IUPAC name of 3-methyl-4-[3-(1,2,4-oxadiazol-3-yl)phenyl]-1,5-dihydropyrido[3,2-b]indol-2-one (CID 118140094) is 3-methyl-4-[3-(1,2,4-oxadiazol-3-yl)phenyl]-1,5-dihydropyrido[3,2-b]indol-2-one.
What is the SMILES notation for 3-methyl-4-[3-(1,2,4-oxadiazol-3-yl)phenyl]-1,5-dihydropyrido[3,2-b]indol-2-one?
The canonical SMILES for 3-methyl-4-[3-(1,2,4-oxadiazol-3-yl)phenyl]-1,5-dihydropyrido[3,2-b]indol-2-one is Cc1c(-c2cccc(-c3ncon3)c2)c2[nH]c3ccccc3c2[nH]c1=O.
What is the InChIKey of 3-methyl-4-[3-(1,2,4-oxadiazol-3-yl)phenyl]-1,5-dihydropyrido[3,2-b]indol-2-one?
The InChIKey is SYIVCGMKIIKXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c1-11-16(12-5-4-6-13(9-12)19-21-10-26-24-19)18-17(23-20(11)25)14-7-2-3-8-15(14)22-18/h2-10,22H,1H3,(H,23,25).
What are the key properties of 3-methyl-4-[3-(1,2,4-oxadiazol-3-yl)phenyl]-1,5-dihydropyrido[3,2-b]indol-2-one?
3-methyl-4-[3-(1,2,4-oxadiazol-3-yl)phenyl]-1,5-dihydropyrido[3,2-b]indol-2-one has a molecular weight of 342.36 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[3-(1,2,4-oxadiazol-3-yl)phenyl]-1,5-dihydropyrido[3,2-b]indol-2-one is sourced from PubChem (CID 118140094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).