3-[4-[8-fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]butyl]-1,3-oxazolidin-2-one

C24H25F2N3O2 — CID 134125310

IUPAC3-[4-[8-fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]butyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCCCN1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1
InChIInChI=1S/C24H25F2N3O2/c25-17-3-6-19(7-4-17)29-22-8-5-18(26)15-20(22)21-16-27(12-9-23(21)29)10-1-2-11-28-13-14-31-24(28)30/h3-8,15H,1-2,9-14,16H2
InChIKeyPREVQKQRNOVERX-UHFFFAOYSA-N
MW425.48 g/mol
LogP4.50
Rot. Bonds6

About 3-[4-[8-fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]butyl]-1,3-oxazolidin-2-one

3-[4-[8-fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]butyl]-1,3-oxazolidin-2-one (PubChem CID 134125310) has the molecular formula C24H25F2N3O2 and a molecular weight of 425.48 g/mol. Its IUPAC name is 3-[4-[8-fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]butyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[8-fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]butyl]-1,3-oxazolidin-2-one
PubChem CID134125310
Molecular FormulaC24H25F2N3O2
Molecular Weight425.48 g/mol
Exact Mass425.19
IUPAC Name3-[4-[8-fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]butyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCCCN1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1
InChIInChI=1S/C24H25F2N3O2/c25-17-3-6-19(7-4-17)29-22-8-5-18(26)15-20(22)21-16-27(12-9-23(21)29)10-1-2-11-28-13-14-31-24(28)30/h3-8,15H,1-2,9-14,16H2
InChIKeyPREVQKQRNOVERX-UHFFFAOYSA-N
XLogP4.50
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[8-fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]butyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[8-fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]butyl]-1,3-oxazolidin-2-one (CID 134125310) is 3-[4-[8-fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]butyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[8-fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]butyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[8-fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]butyl]-1,3-oxazolidin-2-one is O=C1OCCN1CCCCN1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1.
What is the InChIKey of 3-[4-[8-fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]butyl]-1,3-oxazolidin-2-one?
The InChIKey is PREVQKQRNOVERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O2/c25-17-3-6-19(7-4-17)29-22-8-5-18(26)15-20(22)21-16-27(12-9-23(21)29)10-1-2-11-28-13-14-31-24(28)30/h3-8,15H,1-2,9-14,16H2.
What are the key properties of 3-[4-[8-fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]butyl]-1,3-oxazolidin-2-one?
3-[4-[8-fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]butyl]-1,3-oxazolidin-2-one has a molecular weight of 425.48 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[8-fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]butyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134125310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).