7-cyclopentyloxy-1-(2-ethoxyethyl)-2-oxoquinoline-3-carbaldehyde

C19H23NO4 — CID 143688002

IUPAC7-cyclopentyloxy-1-(2-ethoxyethyl)-2-oxoquinoline-3-carbaldehyde
SMILESCCOCCn1c(=O)c(C=O)cc2ccc(OC3CCCC3)cc21
InChIInChI=1S/C19H23NO4/c1-2-23-10-9-20-18-12-17(24-16-5-3-4-6-16)8-7-14(18)11-15(13-21)19(20)22/h7-8,11-13,16H,2-6,9-10H2,1H3
InChIKeyKYZGQLOJSKQYDC-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.17
Rot. Bonds7

About 7-cyclopentyloxy-1-(2-ethoxyethyl)-2-oxoquinoline-3-carbaldehyde

7-cyclopentyloxy-1-(2-ethoxyethyl)-2-oxoquinoline-3-carbaldehyde (PubChem CID 143688002) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 7-cyclopentyloxy-1-(2-ethoxyethyl)-2-oxoquinoline-3-carbaldehyde.

Molecular Properties

Compound Name7-cyclopentyloxy-1-(2-ethoxyethyl)-2-oxoquinoline-3-carbaldehyde
PubChem CID143688002
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name7-cyclopentyloxy-1-(2-ethoxyethyl)-2-oxoquinoline-3-carbaldehyde
SMILESCCOCCn1c(=O)c(C=O)cc2ccc(OC3CCCC3)cc21
InChIInChI=1S/C19H23NO4/c1-2-23-10-9-20-18-12-17(24-16-5-3-4-6-16)8-7-14(18)11-15(13-21)19(20)22/h7-8,11-13,16H,2-6,9-10H2,1H3
InChIKeyKYZGQLOJSKQYDC-UHFFFAOYSA-N
XLogP3.17
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-cyclopentyloxy-2-oxo-1H-quinoline-3-carbaldehyde
CID 143687945
5-cyclopentyloxy-1-ethylindole
CID 57315298
ethyl 5-cyclopentyloxy-1-(2-methoxyethyl)-2-methylindole-3-carboxylate
CID 99991134
4-cyclopentyloxybenzaldehyde
CID 3152724
6-(4-methylcyclohexyl)oxynaphthalene-2-carbaldehyde
CID 118243893
7-ethoxy-2-oxo-1H-quinoline-3-carbaldehyde
CID 765517
1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde
CID 4914630
6-[4-(methoxymethyl)cyclohexyl]oxynaphthalene-2-carbaldehyde
CID 91664543
7-cyclopropyloxy-1,4-dimethylquinolin-2-one
CID 143375645
tert-butyl 4-[[1-(2-ethoxyethyl)-2-oxo-7-phenoxyquinolin-3-yl]methyl]piperazine-1-carboxylate
CID 143687901
N-cyclohexyl-2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-ethylacetamide
CID 24785892
1-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperidine-2-carbaldehyde
CID 142599058

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyloxy-1-(2-ethoxyethyl)-2-oxoquinoline-3-carbaldehyde?
The IUPAC name of 7-cyclopentyloxy-1-(2-ethoxyethyl)-2-oxoquinoline-3-carbaldehyde (CID 143688002) is 7-cyclopentyloxy-1-(2-ethoxyethyl)-2-oxoquinoline-3-carbaldehyde.
What is the SMILES notation for 7-cyclopentyloxy-1-(2-ethoxyethyl)-2-oxoquinoline-3-carbaldehyde?
The canonical SMILES for 7-cyclopentyloxy-1-(2-ethoxyethyl)-2-oxoquinoline-3-carbaldehyde is CCOCCn1c(=O)c(C=O)cc2ccc(OC3CCCC3)cc21.
What is the InChIKey of 7-cyclopentyloxy-1-(2-ethoxyethyl)-2-oxoquinoline-3-carbaldehyde?
The InChIKey is KYZGQLOJSKQYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-2-23-10-9-20-18-12-17(24-16-5-3-4-6-16)8-7-14(18)11-15(13-21)19(20)22/h7-8,11-13,16H,2-6,9-10H2,1H3.
What are the key properties of 7-cyclopentyloxy-1-(2-ethoxyethyl)-2-oxoquinoline-3-carbaldehyde?
7-cyclopentyloxy-1-(2-ethoxyethyl)-2-oxoquinoline-3-carbaldehyde has a molecular weight of 329.40 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyloxy-1-(2-ethoxyethyl)-2-oxoquinoline-3-carbaldehyde is sourced from PubChem (CID 143688002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).