7-cyclopentyloxy-2-oxo-1H-quinoline-3-carbaldehyde

C15H15NO3 — CID 143687945

IUPAC7-cyclopentyloxy-2-oxo-1H-quinoline-3-carbaldehyde
SMILESO=Cc1cc2ccc(OC3CCCC3)cc2[nH]c1=O
InChIInChI=1S/C15H15NO3/c17-9-11-7-10-5-6-13(8-14(10)16-15(11)18)19-12-3-1-2-4-12/h5-9,12H,1-4H2,(H,16,18)
InChIKeyOULZBNWEDFPSPJ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.66
Rot. Bonds3

About 7-cyclopentyloxy-2-oxo-1H-quinoline-3-carbaldehyde

7-cyclopentyloxy-2-oxo-1H-quinoline-3-carbaldehyde (PubChem CID 143687945) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 7-cyclopentyloxy-2-oxo-1H-quinoline-3-carbaldehyde.

Molecular Properties

Compound Name7-cyclopentyloxy-2-oxo-1H-quinoline-3-carbaldehyde
PubChem CID143687945
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name7-cyclopentyloxy-2-oxo-1H-quinoline-3-carbaldehyde
SMILESO=Cc1cc2ccc(OC3CCCC3)cc2[nH]c1=O
InChIInChI=1S/C15H15NO3/c17-9-11-7-10-5-6-13(8-14(10)16-15(11)18)19-12-3-1-2-4-12/h5-9,12H,1-4H2,(H,16,18)
InChIKeyOULZBNWEDFPSPJ-UHFFFAOYSA-N
XLogP2.66
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

7-ethoxy-2-oxo-1H-quinoline-3-carbaldehyde
CID 765517
2-oxo-7-(trifluoromethoxy)-1H-quinoline-3-carbaldehyde
CID 143688170
2-oxo-7-propan-2-yloxy-1H-quinoline-3-carbaldehyde
CID 143687937
7-bromo-2-oxo-1H-quinoline-3-carbaldehyde
CID 22690268
7-cyclopentyloxy-1-(2-ethoxyethyl)-2-oxoquinoline-3-carbaldehyde
CID 143688002
4-cyclopentyloxybenzaldehyde
CID 3152724
2-bromo-6-cyclopentyloxynaphthalene
CID 63531133
1-(6-cyclohexyloxy-1H-benzimidazol-2-yl)ethanone
CID 76849353
5-cycloheptyloxy-1H-indole
CID 82923976
3-(5-cyclopentylpentyl)-7-cyclopropyloxy-1H-quinoxalin-2-one
CID 123992272
4-cyclohexyloxy-2-(4-fluoroanilino)benzaldehyde
CID 89195233
2-(cyclohexylmethyl)-6-cyclopropyloxy-1H-benzimidazole
CID 138664980

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyloxy-2-oxo-1H-quinoline-3-carbaldehyde?
The IUPAC name of 7-cyclopentyloxy-2-oxo-1H-quinoline-3-carbaldehyde (CID 143687945) is 7-cyclopentyloxy-2-oxo-1H-quinoline-3-carbaldehyde.
What is the SMILES notation for 7-cyclopentyloxy-2-oxo-1H-quinoline-3-carbaldehyde?
The canonical SMILES for 7-cyclopentyloxy-2-oxo-1H-quinoline-3-carbaldehyde is O=Cc1cc2ccc(OC3CCCC3)cc2[nH]c1=O.
What is the InChIKey of 7-cyclopentyloxy-2-oxo-1H-quinoline-3-carbaldehyde?
The InChIKey is OULZBNWEDFPSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-9-11-7-10-5-6-13(8-14(10)16-15(11)18)19-12-3-1-2-4-12/h5-9,12H,1-4H2,(H,16,18).
What are the key properties of 7-cyclopentyloxy-2-oxo-1H-quinoline-3-carbaldehyde?
7-cyclopentyloxy-2-oxo-1H-quinoline-3-carbaldehyde has a molecular weight of 257.29 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyloxy-2-oxo-1H-quinoline-3-carbaldehyde is sourced from PubChem (CID 143687945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).