3-cyclopropyl-7-fluoro-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one

C26H28FN5O2 — CID 166645391

IUPAC3-cyclopropyl-7-fluoro-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one
SMILESO=c1[nH]c2c3cc(-c4ccc(OCCCN5CCCCC5)nc4)c(F)cc3ncc2n1C1CC1
InChIInChI=1S/C26H28FN5O2/c27-21-14-22-20(25-23(16-28-22)32(18-6-7-18)26(33)30-25)13-19(21)17-5-8-24(29-15-17)34-12-4-11-31-9-2-1-3-10-31/h5,8,13-16,18H,1-4,6-7,9-12H2,(H,30,33)
InChIKeyGNSDAFVDGDQJQA-UHFFFAOYSA-N
MW461.54 g/mol
LogP4.67
Rot. Bonds7

About 3-cyclopropyl-7-fluoro-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one

3-cyclopropyl-7-fluoro-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one (PubChem CID 166645391) has the molecular formula C26H28FN5O2 and a molecular weight of 461.54 g/mol. Its IUPAC name is 3-cyclopropyl-7-fluoro-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name3-cyclopropyl-7-fluoro-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one
PubChem CID166645391
Molecular FormulaC26H28FN5O2
Molecular Weight461.54 g/mol
Exact Mass461.22
IUPAC Name3-cyclopropyl-7-fluoro-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one
SMILESO=c1[nH]c2c3cc(-c4ccc(OCCCN5CCCCC5)nc4)c(F)cc3ncc2n1C1CC1
InChIInChI=1S/C26H28FN5O2/c27-21-14-22-20(25-23(16-28-22)32(18-6-7-18)26(33)30-25)13-19(21)17-5-8-24(29-15-17)34-12-4-11-31-9-2-1-3-10-31/h5,8,13-16,18H,1-4,6-7,9-12H2,(H,30,33)
InChIKeyGNSDAFVDGDQJQA-UHFFFAOYSA-N
XLogP4.67
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.67
H-Bond Donors ≤ 51
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-cyclopropyl-7-fluoro-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 3-cyclopropyl-7-fluoro-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one (CID 166645391) is 3-cyclopropyl-7-fluoro-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 3-cyclopropyl-7-fluoro-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 3-cyclopropyl-7-fluoro-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one is O=c1[nH]c2c3cc(-c4ccc(OCCCN5CCCCC5)nc4)c(F)cc3ncc2n1C1CC1.
What is the InChIKey of 3-cyclopropyl-7-fluoro-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is GNSDAFVDGDQJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O2/c27-21-14-22-20(25-23(16-28-22)32(18-6-7-18)26(33)30-25)13-19(21)17-5-8-24(29-15-17)34-12-4-11-31-9-2-1-3-10-31/h5,8,13-16,18H,1-4,6-7,9-12H2,(H,30,33).
What are the key properties of 3-cyclopropyl-7-fluoro-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one?
3-cyclopropyl-7-fluoro-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 461.54 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-7-fluoro-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 166645391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).