1-(4-chloropentyl)-3,4-dihydro-2H-quinoline-6-carbaldehyde

C15H20ClNO — CID 91010817

IUPAC1-(4-chloropentyl)-3,4-dihydro-2H-quinoline-6-carbaldehyde
SMILESCC(Cl)CCCN1CCCc2cc(C=O)ccc21
InChIInChI=1S/C15H20ClNO/c1-12(16)4-2-8-17-9-3-5-14-10-13(11-18)6-7-15(14)17/h6-7,10-12H,2-5,8-9H2,1H3
InChIKeyGKGLROWCNTXOQJ-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.66
Rot. Bonds5

About 1-(4-chloropentyl)-3,4-dihydro-2H-quinoline-6-carbaldehyde

1-(4-chloropentyl)-3,4-dihydro-2H-quinoline-6-carbaldehyde (PubChem CID 91010817) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 1-(4-chloropentyl)-3,4-dihydro-2H-quinoline-6-carbaldehyde.

Molecular Properties

Compound Name1-(4-chloropentyl)-3,4-dihydro-2H-quinoline-6-carbaldehyde
PubChem CID91010817
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name1-(4-chloropentyl)-3,4-dihydro-2H-quinoline-6-carbaldehyde
SMILESCC(Cl)CCCN1CCCc2cc(C=O)ccc21
InChIInChI=1S/C15H20ClNO/c1-12(16)4-2-8-17-9-3-5-14-10-13(11-18)6-7-15(14)17/h6-7,10-12H,2-5,8-9H2,1H3
InChIKeyGKGLROWCNTXOQJ-UHFFFAOYSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloropentyl)-3,4-dihydro-2H-quinoline-6-carbaldehyde?
The IUPAC name of 1-(4-chloropentyl)-3,4-dihydro-2H-quinoline-6-carbaldehyde (CID 91010817) is 1-(4-chloropentyl)-3,4-dihydro-2H-quinoline-6-carbaldehyde.
What is the SMILES notation for 1-(4-chloropentyl)-3,4-dihydro-2H-quinoline-6-carbaldehyde?
The canonical SMILES for 1-(4-chloropentyl)-3,4-dihydro-2H-quinoline-6-carbaldehyde is CC(Cl)CCCN1CCCc2cc(C=O)ccc21.
What is the InChIKey of 1-(4-chloropentyl)-3,4-dihydro-2H-quinoline-6-carbaldehyde?
The InChIKey is GKGLROWCNTXOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-12(16)4-2-8-17-9-3-5-14-10-13(11-18)6-7-15(14)17/h6-7,10-12H,2-5,8-9H2,1H3.
What are the key properties of 1-(4-chloropentyl)-3,4-dihydro-2H-quinoline-6-carbaldehyde?
1-(4-chloropentyl)-3,4-dihydro-2H-quinoline-6-carbaldehyde has a molecular weight of 265.78 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloropentyl)-3,4-dihydro-2H-quinoline-6-carbaldehyde is sourced from PubChem (CID 91010817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).