4-butoxy-6-ethyl-3-methylquinoline-2-carbaldehyde

C17H21NO2 — CID 89063807

IUPAC4-butoxy-6-ethyl-3-methylquinoline-2-carbaldehyde
SMILESCCCCOc1c(C)c(C=O)nc2ccc(CC)cc12
InChIInChI=1S/C17H21NO2/c1-4-6-9-20-17-12(3)16(11-19)18-15-8-7-13(5-2)10-14(15)17/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyLGNGJYAFOUWBBX-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.10
Rot. Bonds6

About 4-butoxy-6-ethyl-3-methylquinoline-2-carbaldehyde

4-butoxy-6-ethyl-3-methylquinoline-2-carbaldehyde (PubChem CID 89063807) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-butoxy-6-ethyl-3-methylquinoline-2-carbaldehyde.

Molecular Properties

Compound Name4-butoxy-6-ethyl-3-methylquinoline-2-carbaldehyde
PubChem CID89063807
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-butoxy-6-ethyl-3-methylquinoline-2-carbaldehyde
SMILESCCCCOc1c(C)c(C=O)nc2ccc(CC)cc12
InChIInChI=1S/C17H21NO2/c1-4-6-9-20-17-12(3)16(11-19)18-15-8-7-13(5-2)10-14(15)17/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyLGNGJYAFOUWBBX-UHFFFAOYSA-N
XLogP4.10
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-butoxy-6-ethyl-3-methylquinoline-2-carbaldehyde?
The IUPAC name of 4-butoxy-6-ethyl-3-methylquinoline-2-carbaldehyde (CID 89063807) is 4-butoxy-6-ethyl-3-methylquinoline-2-carbaldehyde.
What is the SMILES notation for 4-butoxy-6-ethyl-3-methylquinoline-2-carbaldehyde?
The canonical SMILES for 4-butoxy-6-ethyl-3-methylquinoline-2-carbaldehyde is CCCCOc1c(C)c(C=O)nc2ccc(CC)cc12.
What is the InChIKey of 4-butoxy-6-ethyl-3-methylquinoline-2-carbaldehyde?
The InChIKey is LGNGJYAFOUWBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-6-9-20-17-12(3)16(11-19)18-15-8-7-13(5-2)10-14(15)17/h7-8,10-11H,4-6,9H2,1-3H3.
What are the key properties of 4-butoxy-6-ethyl-3-methylquinoline-2-carbaldehyde?
4-butoxy-6-ethyl-3-methylquinoline-2-carbaldehyde has a molecular weight of 271.36 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-6-ethyl-3-methylquinoline-2-carbaldehyde is sourced from PubChem (CID 89063807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).