1-heptyl-3,4-dihydro-2H-quinoline

C16H25N — CID 154324891

IUPAC1-heptyl-3,4-dihydro-2H-quinoline
SMILESCCCCCCCN1CCCc2ccccc21
InChIInChI=1S/C16H25N/c1-2-3-4-5-8-13-17-14-9-11-15-10-6-7-12-16(15)17/h6-7,10,12H,2-5,8-9,11,13-14H2,1H3
InChIKeyQXGNTPVJUHNYEJ-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.41
Rot. Bonds6

About 1-heptyl-3,4-dihydro-2H-quinoline

1-heptyl-3,4-dihydro-2H-quinoline (PubChem CID 154324891) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-heptyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-heptyl-3,4-dihydro-2H-quinoline
PubChem CID154324891
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-heptyl-3,4-dihydro-2H-quinoline
SMILESCCCCCCCN1CCCc2ccccc21
InChIInChI=1S/C16H25N/c1-2-3-4-5-8-13-17-14-9-11-15-10-6-7-12-16(15)17/h6-7,10,12H,2-5,8-9,11,13-14H2,1H3
InChIKeyQXGNTPVJUHNYEJ-UHFFFAOYSA-N
XLogP4.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.41
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

6-(3,4-dihydro-2H-quinolin-1-yl)hexan-1-amine
CID 13472128
5-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-ol
CID 13472126
8-(3,4-dihydro-2H-quinolin-1-yl)octan-1-amine
CID 13472131
6-(3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylhexan-1-amine
CID 13472124
8-(3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethyloctan-1-amine
CID 13472133
1-butyl-2,3-dihydroindole
CID 4167209
4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine
CID 60840995
1-heptyl-3,4-dihydro-2H-quinolin-7-amine
CID 62265158
1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline
CID 82085595
1-hexyl-3,4-dihydro-2H-quinolin-6-ol;hydroiodide
CID 13300508
(1-heptyl-3,4-dihydro-2H-quinolin-6-yl)methanamine
CID 63527146
1-(4-piperazin-1-ylbutyl)-3,4-dihydro-2H-quinoline
CID 28808284

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-heptyl-3,4-dihydro-2H-quinoline (CID 154324891) is 1-heptyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-heptyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-heptyl-3,4-dihydro-2H-quinoline is CCCCCCCN1CCCc2ccccc21.
What is the InChIKey of 1-heptyl-3,4-dihydro-2H-quinoline?
The InChIKey is QXGNTPVJUHNYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-2-3-4-5-8-13-17-14-9-11-15-10-6-7-12-16(15)17/h6-7,10,12H,2-5,8-9,11,13-14H2,1H3.
What are the key properties of 1-heptyl-3,4-dihydro-2H-quinoline?
1-heptyl-3,4-dihydro-2H-quinoline has a molecular weight of 231.38 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 154324891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).