4-cyclopentyloxy-2-oxo-3-propyl-1H-quinoline-6-carbonitrile

C18H20N2O2 — CID 503372

IUPAC4-cyclopentyloxy-2-oxo-3-propyl-1H-quinoline-6-carbonitrile
SMILESCCCc1c(OC2CCCC2)c2cc(C#N)ccc2[nH]c1=O
InChIInChI=1S/C18H20N2O2/c1-2-5-14-17(22-13-6-3-4-7-13)15-10-12(11-19)8-9-16(15)20-18(14)21/h8-10,13H,2-7H2,1H3,(H,20,21)
InChIKeyQOABECSISRASAC-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.67
Rot. Bonds4

About 4-cyclopentyloxy-2-oxo-3-propyl-1H-quinoline-6-carbonitrile

4-cyclopentyloxy-2-oxo-3-propyl-1H-quinoline-6-carbonitrile (PubChem CID 503372) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-cyclopentyloxy-2-oxo-3-propyl-1H-quinoline-6-carbonitrile.

Molecular Properties

Compound Name4-cyclopentyloxy-2-oxo-3-propyl-1H-quinoline-6-carbonitrile
PubChem CID503372
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name4-cyclopentyloxy-2-oxo-3-propyl-1H-quinoline-6-carbonitrile
SMILESCCCc1c(OC2CCCC2)c2cc(C#N)ccc2[nH]c1=O
InChIInChI=1S/C18H20N2O2/c1-2-5-14-17(22-13-6-3-4-7-13)15-10-12(11-19)8-9-16(15)20-18(14)21/h8-10,13H,2-7H2,1H3,(H,20,21)
InChIKeyQOABECSISRASAC-UHFFFAOYSA-N
XLogP3.67
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-2-oxo-3-propyl-1H-quinoline-6-carbonitrile?
The IUPAC name of 4-cyclopentyloxy-2-oxo-3-propyl-1H-quinoline-6-carbonitrile (CID 503372) is 4-cyclopentyloxy-2-oxo-3-propyl-1H-quinoline-6-carbonitrile.
What is the SMILES notation for 4-cyclopentyloxy-2-oxo-3-propyl-1H-quinoline-6-carbonitrile?
The canonical SMILES for 4-cyclopentyloxy-2-oxo-3-propyl-1H-quinoline-6-carbonitrile is CCCc1c(OC2CCCC2)c2cc(C#N)ccc2[nH]c1=O.
What is the InChIKey of 4-cyclopentyloxy-2-oxo-3-propyl-1H-quinoline-6-carbonitrile?
The InChIKey is QOABECSISRASAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-2-5-14-17(22-13-6-3-4-7-13)15-10-12(11-19)8-9-16(15)20-18(14)21/h8-10,13H,2-7H2,1H3,(H,20,21).
What are the key properties of 4-cyclopentyloxy-2-oxo-3-propyl-1H-quinoline-6-carbonitrile?
4-cyclopentyloxy-2-oxo-3-propyl-1H-quinoline-6-carbonitrile has a molecular weight of 296.37 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-2-oxo-3-propyl-1H-quinoline-6-carbonitrile is sourced from PubChem (CID 503372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).