5-cyclobutyloxy-6-[1-(4-fluoropyrrolidin-3-yl)pyrazol-4-yl]-1,2-dimethyl-3,4-dihydro-2H-quinoline

C22H29FN4O — CID 155418683

IUPAC5-cyclobutyloxy-6-[1-(4-fluoropyrrolidin-3-yl)pyrazol-4-yl]-1,2-dimethyl-3,4-dihydro-2H-quinoline
SMILESCC1CCc2c(ccc(-c3cnn(C4CNCC4F)c3)c2OC2CCC2)N1C
InChIInChI=1S/C22H29FN4O/c1-14-6-7-18-20(26(14)2)9-8-17(22(18)28-16-4-3-5-16)15-10-25-27(13-15)21-12-24-11-19(21)23/h8-10,13-14,16,19,21,24H,3-7,11-12H2,1-2H3
InChIKeyZSQUVEYABHMZQV-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.73
Rot. Bonds4

About 5-cyclobutyloxy-6-[1-(4-fluoropyrrolidin-3-yl)pyrazol-4-yl]-1,2-dimethyl-3,4-dihydro-2H-quinoline

5-cyclobutyloxy-6-[1-(4-fluoropyrrolidin-3-yl)pyrazol-4-yl]-1,2-dimethyl-3,4-dihydro-2H-quinoline (PubChem CID 155418683) has the molecular formula C22H29FN4O and a molecular weight of 384.50 g/mol. Its IUPAC name is 5-cyclobutyloxy-6-[1-(4-fluoropyrrolidin-3-yl)pyrazol-4-yl]-1,2-dimethyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name5-cyclobutyloxy-6-[1-(4-fluoropyrrolidin-3-yl)pyrazol-4-yl]-1,2-dimethyl-3,4-dihydro-2H-quinoline
PubChem CID155418683
Molecular FormulaC22H29FN4O
Molecular Weight384.50 g/mol
Exact Mass384.23
IUPAC Name5-cyclobutyloxy-6-[1-(4-fluoropyrrolidin-3-yl)pyrazol-4-yl]-1,2-dimethyl-3,4-dihydro-2H-quinoline
SMILESCC1CCc2c(ccc(-c3cnn(C4CNCC4F)c3)c2OC2CCC2)N1C
InChIInChI=1S/C22H29FN4O/c1-14-6-7-18-20(26(14)2)9-8-17(22(18)28-16-4-3-5-16)15-10-25-27(13-15)21-12-24-11-19(21)23/h8-10,13-14,16,19,21,24H,3-7,11-12H2,1-2H3
InChIKeyZSQUVEYABHMZQV-UHFFFAOYSA-N
XLogP3.73
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyloxy-6-[1-(4-fluoropyrrolidin-3-yl)pyrazol-4-yl]-1,2-dimethyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 5-cyclobutyloxy-6-[1-(4-fluoropyrrolidin-3-yl)pyrazol-4-yl]-1,2-dimethyl-3,4-dihydro-2H-quinoline (CID 155418683) is 5-cyclobutyloxy-6-[1-(4-fluoropyrrolidin-3-yl)pyrazol-4-yl]-1,2-dimethyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 5-cyclobutyloxy-6-[1-(4-fluoropyrrolidin-3-yl)pyrazol-4-yl]-1,2-dimethyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 5-cyclobutyloxy-6-[1-(4-fluoropyrrolidin-3-yl)pyrazol-4-yl]-1,2-dimethyl-3,4-dihydro-2H-quinoline is CC1CCc2c(ccc(-c3cnn(C4CNCC4F)c3)c2OC2CCC2)N1C.
What is the InChIKey of 5-cyclobutyloxy-6-[1-(4-fluoropyrrolidin-3-yl)pyrazol-4-yl]-1,2-dimethyl-3,4-dihydro-2H-quinoline?
The InChIKey is ZSQUVEYABHMZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O/c1-14-6-7-18-20(26(14)2)9-8-17(22(18)28-16-4-3-5-16)15-10-25-27(13-15)21-12-24-11-19(21)23/h8-10,13-14,16,19,21,24H,3-7,11-12H2,1-2H3.
What are the key properties of 5-cyclobutyloxy-6-[1-(4-fluoropyrrolidin-3-yl)pyrazol-4-yl]-1,2-dimethyl-3,4-dihydro-2H-quinoline?
5-cyclobutyloxy-6-[1-(4-fluoropyrrolidin-3-yl)pyrazol-4-yl]-1,2-dimethyl-3,4-dihydro-2H-quinoline has a molecular weight of 384.50 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyloxy-6-[1-(4-fluoropyrrolidin-3-yl)pyrazol-4-yl]-1,2-dimethyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 155418683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).