8-butan-2-yloxyquinoline-5-carbaldehyde

C14H15NO2 — CID 133164872

IUPAC8-butan-2-yloxyquinoline-5-carbaldehyde
SMILESCCC(C)Oc1ccc(C=O)c2cccnc12
InChIInChI=1S/C14H15NO2/c1-3-10(2)17-13-7-6-11(9-16)12-5-4-8-15-14(12)13/h4-10H,3H2,1-2H3
InChIKeyQVVMFYCOUAYBDO-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.22
Rot. Bonds4

About 8-butan-2-yloxyquinoline-5-carbaldehyde

8-butan-2-yloxyquinoline-5-carbaldehyde (PubChem CID 133164872) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 8-butan-2-yloxyquinoline-5-carbaldehyde.

Molecular Properties

Compound Name8-butan-2-yloxyquinoline-5-carbaldehyde
PubChem CID133164872
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name8-butan-2-yloxyquinoline-5-carbaldehyde
SMILESCCC(C)Oc1ccc(C=O)c2cccnc12
InChIInChI=1S/C14H15NO2/c1-3-10(2)17-13-7-6-11(9-16)12-5-4-8-15-14(12)13/h4-10H,3H2,1-2H3
InChIKeyQVVMFYCOUAYBDO-UHFFFAOYSA-N
XLogP3.22
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-[(2S)-butan-2-yl]oxyquinoline
CID 99646584
3-butan-2-yloxy-2-chloropyridine
CID 65102026
8-[(2S)-butan-2-yl]oxy-5,7-dichloroquinoline
CID 100613714
2-methyl-N-(8-propan-2-yloxyquinolin-5-yl)-2-propoxypropanamide
CID 100777551
N-[(E)-[2-[(2R)-butan-2-yl]oxynaphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126030174
8-propan-2-yloxyquinoline-5-sulfonyl chloride
CID 43115660
1-(8-ethoxyquinolin-5-yl)ethanol
CID 82264789
2-(5-aminoquinolin-8-yl)oxy-N,N-diethylpropanamide
CID 60863149
2-(5-aminoquinolin-8-yl)oxy-N,N-dimethylpropanamide
CID 60865141
2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzaldehyde
CID 82039986
4-(sulfanylmethoxy)naphthalene-1-carbaldehyde
CID 88819340
4-butan-2-yloxyquinazoline
CID 121007235

Frequently Asked Questions

What is the IUPAC name of 8-butan-2-yloxyquinoline-5-carbaldehyde?
The IUPAC name of 8-butan-2-yloxyquinoline-5-carbaldehyde (CID 133164872) is 8-butan-2-yloxyquinoline-5-carbaldehyde.
What is the SMILES notation for 8-butan-2-yloxyquinoline-5-carbaldehyde?
The canonical SMILES for 8-butan-2-yloxyquinoline-5-carbaldehyde is CCC(C)Oc1ccc(C=O)c2cccnc12.
What is the InChIKey of 8-butan-2-yloxyquinoline-5-carbaldehyde?
The InChIKey is QVVMFYCOUAYBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-10(2)17-13-7-6-11(9-16)12-5-4-8-15-14(12)13/h4-10H,3H2,1-2H3.
What are the key properties of 8-butan-2-yloxyquinoline-5-carbaldehyde?
8-butan-2-yloxyquinoline-5-carbaldehyde has a molecular weight of 229.28 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butan-2-yloxyquinoline-5-carbaldehyde is sourced from PubChem (CID 133164872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).