4-cyclopentyloxy-6-methyl-3-propyl-1H-quinolin-2-one

C18H23NO2 — CID 503369

IUPAC4-cyclopentyloxy-6-methyl-3-propyl-1H-quinolin-2-one
SMILESCCCc1c(OC2CCCC2)c2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C18H23NO2/c1-3-6-14-17(21-13-7-4-5-8-13)15-11-12(2)9-10-16(15)19-18(14)20/h9-11,13H,3-8H2,1-2H3,(H,19,20)
InChIKeyOWMLTFHGPONPJB-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.11
Rot. Bonds4

About 4-cyclopentyloxy-6-methyl-3-propyl-1H-quinolin-2-one

4-cyclopentyloxy-6-methyl-3-propyl-1H-quinolin-2-one (PubChem CID 503369) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-cyclopentyloxy-6-methyl-3-propyl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-cyclopentyloxy-6-methyl-3-propyl-1H-quinolin-2-one
PubChem CID503369
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-cyclopentyloxy-6-methyl-3-propyl-1H-quinolin-2-one
SMILESCCCc1c(OC2CCCC2)c2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C18H23NO2/c1-3-6-14-17(21-13-7-4-5-8-13)15-11-12(2)9-10-16(15)19-18(14)20/h9-11,13H,3-8H2,1-2H3,(H,19,20)
InChIKeyOWMLTFHGPONPJB-UHFFFAOYSA-N
XLogP4.11
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-6-methyl-3-propyl-1H-quinolin-2-one?
The IUPAC name of 4-cyclopentyloxy-6-methyl-3-propyl-1H-quinolin-2-one (CID 503369) is 4-cyclopentyloxy-6-methyl-3-propyl-1H-quinolin-2-one.
What is the SMILES notation for 4-cyclopentyloxy-6-methyl-3-propyl-1H-quinolin-2-one?
The canonical SMILES for 4-cyclopentyloxy-6-methyl-3-propyl-1H-quinolin-2-one is CCCc1c(OC2CCCC2)c2cc(C)ccc2[nH]c1=O.
What is the InChIKey of 4-cyclopentyloxy-6-methyl-3-propyl-1H-quinolin-2-one?
The InChIKey is OWMLTFHGPONPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-6-14-17(21-13-7-4-5-8-13)15-11-12(2)9-10-16(15)19-18(14)20/h9-11,13H,3-8H2,1-2H3,(H,19,20).
What are the key properties of 4-cyclopentyloxy-6-methyl-3-propyl-1H-quinolin-2-one?
4-cyclopentyloxy-6-methyl-3-propyl-1H-quinolin-2-one has a molecular weight of 285.39 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-6-methyl-3-propyl-1H-quinolin-2-one is sourced from PubChem (CID 503369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).