3-[[5-chloro-1-(4-fluorobutyl)indol-2-yl]methyl]-1-quinolin-6-ylimidazo[4,5-c]pyridin-2-one

C28H23ClFN5O — CID 90027867

IUPAC3-[[5-chloro-1-(4-fluorobutyl)indol-2-yl]methyl]-1-quinolin-6-ylimidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2cc3cc(Cl)ccc3n2CCCCF)c2cnccc2n1-c1ccc2ncccc2c1
InChIInChI=1S/C28H23ClFN5O/c29-21-5-8-25-20(14-21)16-23(33(25)13-2-1-10-30)18-34-27-17-31-12-9-26(27)35(28(34)36)22-6-7-24-19(15-22)4-3-11-32-24/h3-9,11-12,14-17H,1-2,10,13,18H2
InChIKeyADISINRJKNEMBZ-UHFFFAOYSA-N
MW499.98 g/mol
LogP6.14
Rot. Bonds7

About 3-[[5-chloro-1-(4-fluorobutyl)indol-2-yl]methyl]-1-quinolin-6-ylimidazo[4,5-c]pyridin-2-one

3-[[5-chloro-1-(4-fluorobutyl)indol-2-yl]methyl]-1-quinolin-6-ylimidazo[4,5-c]pyridin-2-one (PubChem CID 90027867) has the molecular formula C28H23ClFN5O and a molecular weight of 499.98 g/mol. Its IUPAC name is 3-[[5-chloro-1-(4-fluorobutyl)indol-2-yl]methyl]-1-quinolin-6-ylimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-[[5-chloro-1-(4-fluorobutyl)indol-2-yl]methyl]-1-quinolin-6-ylimidazo[4,5-c]pyridin-2-one
PubChem CID90027867
Molecular FormulaC28H23ClFN5O
Molecular Weight499.98 g/mol
Exact Mass499.16
IUPAC Name3-[[5-chloro-1-(4-fluorobutyl)indol-2-yl]methyl]-1-quinolin-6-ylimidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2cc3cc(Cl)ccc3n2CCCCF)c2cnccc2n1-c1ccc2ncccc2c1
InChIInChI=1S/C28H23ClFN5O/c29-21-5-8-25-20(14-21)16-23(33(25)13-2-1-10-30)18-34-27-17-31-12-9-26(27)35(28(34)36)22-6-7-24-19(15-22)4-3-11-32-24/h3-9,11-12,14-17H,1-2,10,13,18H2
InChIKeyADISINRJKNEMBZ-UHFFFAOYSA-N
XLogP6.14
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.98
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[[5-chloro-1-(4-fluorobutyl)indol-2-yl]methyl]-1-quinolin-6-ylimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 3-[[5-chloro-1-(4-fluorobutyl)indol-2-yl]methyl]-1-quinolin-6-ylimidazo[4,5-c]pyridin-2-one (CID 90027867) is 3-[[5-chloro-1-(4-fluorobutyl)indol-2-yl]methyl]-1-quinolin-6-ylimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3-[[5-chloro-1-(4-fluorobutyl)indol-2-yl]methyl]-1-quinolin-6-ylimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-[[5-chloro-1-(4-fluorobutyl)indol-2-yl]methyl]-1-quinolin-6-ylimidazo[4,5-c]pyridin-2-one is O=c1n(Cc2cc3cc(Cl)ccc3n2CCCCF)c2cnccc2n1-c1ccc2ncccc2c1.
What is the InChIKey of 3-[[5-chloro-1-(4-fluorobutyl)indol-2-yl]methyl]-1-quinolin-6-ylimidazo[4,5-c]pyridin-2-one?
The InChIKey is ADISINRJKNEMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClFN5O/c29-21-5-8-25-20(14-21)16-23(33(25)13-2-1-10-30)18-34-27-17-31-12-9-26(27)35(28(34)36)22-6-7-24-19(15-22)4-3-11-32-24/h3-9,11-12,14-17H,1-2,10,13,18H2.
What are the key properties of 3-[[5-chloro-1-(4-fluorobutyl)indol-2-yl]methyl]-1-quinolin-6-ylimidazo[4,5-c]pyridin-2-one?
3-[[5-chloro-1-(4-fluorobutyl)indol-2-yl]methyl]-1-quinolin-6-ylimidazo[4,5-c]pyridin-2-one has a molecular weight of 499.98 g/mol, XLogP of 6.14, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-chloro-1-(4-fluorobutyl)indol-2-yl]methyl]-1-quinolin-6-ylimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 90027867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).