2-pentylquinoline-6-carbaldehyde

C15H17NO — CID 87695351

IUPAC2-pentylquinoline-6-carbaldehyde
SMILESCCCCCc1ccc2cc(C=O)ccc2n1
InChIInChI=1S/C15H17NO/c1-2-3-4-5-14-8-7-13-10-12(11-17)6-9-15(13)16-14/h6-11H,2-5H2,1H3
InChIKeyCDLOCSMOOIGZJP-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.78
Rot. Bonds5

About 2-pentylquinoline-6-carbaldehyde

2-pentylquinoline-6-carbaldehyde (PubChem CID 87695351) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-pentylquinoline-6-carbaldehyde.

Molecular Properties

Compound Name2-pentylquinoline-6-carbaldehyde
PubChem CID87695351
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2-pentylquinoline-6-carbaldehyde
SMILESCCCCCc1ccc2cc(C=O)ccc2n1
InChIInChI=1S/C15H17NO/c1-2-3-4-5-14-8-7-13-10-12(11-17)6-9-15(13)16-14/h6-11H,2-5H2,1H3
InChIKeyCDLOCSMOOIGZJP-UHFFFAOYSA-N
XLogP3.78
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-hexadecyl-6-methylquinoline
CID 4997368
4-hydroxy-3-pentylbenzaldehyde
CID 57447727
ethane;4-pentylbenzaldehyde
CID 143882863
7-heptoxyquinoline-3-carbaldehyde
CID 23600236
2-propylquinolin-6-amine
CID 130537701
naphthalene-2,6-dicarbaldehyde
CID 159038637
2-propylterephthalaldehyde
CID 134537626
2-butyl-1,6-naphthyridine
CID 23383449
2-propyl-3H-benzimidazole-5-carbaldehyde
CID 45077925
2,6-dipentylpyridine
CID 58097448
6-(2,3-difluoro-4-octoxyphenyl)-2-heptylquinoline
CID 101044342
2,3-diethyl-6-pentylpyridine
CID 175318170

Frequently Asked Questions

What is the IUPAC name of 2-pentylquinoline-6-carbaldehyde?
The IUPAC name of 2-pentylquinoline-6-carbaldehyde (CID 87695351) is 2-pentylquinoline-6-carbaldehyde.
What is the SMILES notation for 2-pentylquinoline-6-carbaldehyde?
The canonical SMILES for 2-pentylquinoline-6-carbaldehyde is CCCCCc1ccc2cc(C=O)ccc2n1.
What is the InChIKey of 2-pentylquinoline-6-carbaldehyde?
The InChIKey is CDLOCSMOOIGZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-2-3-4-5-14-8-7-13-10-12(11-17)6-9-15(13)16-14/h6-11H,2-5H2,1H3.
What are the key properties of 2-pentylquinoline-6-carbaldehyde?
2-pentylquinoline-6-carbaldehyde has a molecular weight of 227.31 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylquinoline-6-carbaldehyde is sourced from PubChem (CID 87695351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).