1-pentyl-4H-quinoline

C14H19N — CID 131986678

IUPAC1-pentyl-4H-quinoline
SMILESCCCCCN1C=CCc2ccccc21
InChIInChI=1S/C14H19N/c1-2-3-6-11-15-12-7-9-13-8-4-5-10-14(13)15/h4-5,7-8,10,12H,2-3,6,9,11H2,1H3
InChIKeyPBTKQVSHAMBMKB-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.75
Rot. Bonds4

About 1-pentyl-4H-quinoline

1-pentyl-4H-quinoline (PubChem CID 131986678) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-pentyl-4H-quinoline.

Molecular Properties

Compound Name1-pentyl-4H-quinoline
PubChem CID131986678
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name1-pentyl-4H-quinoline
SMILESCCCCCN1C=CCc2ccccc21
InChIInChI=1S/C14H19N/c1-2-3-6-11-15-12-7-9-13-8-4-5-10-14(13)15/h4-5,7-8,10,12H,2-3,6,9,11H2,1H3
InChIKeyPBTKQVSHAMBMKB-UHFFFAOYSA-N
XLogP3.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-dodecyl-3-methyl-4H-quinoline
CID 89157959
1-dodecyl-3H-pyrrol-2-one
CID 23649268
1-(2-thiophen-3-ylethyl)-4H-quinoline
CID 174278289
1-hexyl-3,4-dihydroquinolin-2-one
CID 91805726
1-chloro-4H-quinoline
CID 87098649
1-(4H-quinolin-1-yl)ethanone
CID 11644005
1-heptyl-3,4-dihydro-2H-quinoline
CID 154324891
5-pentyl-6H-benzo[b][1,4]benzoxazepine
CID 67833810
2-pentyl-3,4-dihydro-1H-isoquinoline
CID 24138
1-methyl-3-nonyl-2H-benzimidazole
CID 138678028
1-butyl-2,3-dihydroindole
CID 4167209
5-methyl-10-octadecylphenazine
CID 10813380

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-4H-quinoline?
The IUPAC name of 1-pentyl-4H-quinoline (CID 131986678) is 1-pentyl-4H-quinoline.
What is the SMILES notation for 1-pentyl-4H-quinoline?
The canonical SMILES for 1-pentyl-4H-quinoline is CCCCCN1C=CCc2ccccc21.
What is the InChIKey of 1-pentyl-4H-quinoline?
The InChIKey is PBTKQVSHAMBMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-2-3-6-11-15-12-7-9-13-8-4-5-10-14(13)15/h4-5,7-8,10,12H,2-3,6,9,11H2,1H3.
What are the key properties of 1-pentyl-4H-quinoline?
1-pentyl-4H-quinoline has a molecular weight of 201.31 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4H-quinoline is sourced from PubChem (CID 131986678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).