1-quinolin-4-yldecan-1-one

C19H25NO — CID 105086389

IUPAC1-quinolin-4-yldecan-1-one
SMILESCCCCCCCCCC(=O)c1ccnc2ccccc12
InChIInChI=1S/C19H25NO/c1-2-3-4-5-6-7-8-13-19(21)17-14-15-20-18-12-10-9-11-16(17)18/h9-12,14-15H,2-8,13H2,1H3
InChIKeyUJUNUUNUORSYKK-UHFFFAOYSA-N
MW283.41 g/mol
LogP5.56
Rot. Bonds9

About 1-quinolin-4-yldecan-1-one

1-quinolin-4-yldecan-1-one (PubChem CID 105086389) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is 1-quinolin-4-yldecan-1-one.

Molecular Properties

Compound Name1-quinolin-4-yldecan-1-one
PubChem CID105086389
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name1-quinolin-4-yldecan-1-one
SMILESCCCCCCCCCC(=O)c1ccnc2ccccc12
InChIInChI=1S/C19H25NO/c1-2-3-4-5-6-7-8-13-19(21)17-14-15-20-18-12-10-9-11-16(17)18/h9-12,14-15H,2-8,13H2,1H3
InChIKeyUJUNUUNUORSYKK-UHFFFAOYSA-N
XLogP5.56
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.41
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-quinolin-5-ylhexan-1-one
CID 115789824
1-(2-methylquinolin-4-yl)heptan-1-one
CID 54325185
1-naphthalen-1-yldodecan-1-one
CID 3424169
1-(2-phenylquinolin-4-yl)heptan-1-one
CID 159379638
1-[3-(quinolin-4-ylamino)phenyl]octan-1-one
CID 159530108
1-quinolin-4-ylbut-3-yn-1-one
CID 105076388
1-(2-methyl-3-pyridinyl)hexan-1-one
CID 105087719
N-pentan-3-ylquinoline-4-carboxamide
CID 78813506
2,2-dimethyldodecan-5-yl quinoline-4-carboxylate
CID 175477105
5-amino-1-quinolin-5-ylhexan-1-one
CID 116610193
1-(2-methylphenyl)undecan-1-one
CID 63409592
1-(2-chlorophenyl)dodecan-1-one
CID 114963350

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-4-yldecan-1-one?
The IUPAC name of 1-quinolin-4-yldecan-1-one (CID 105086389) is 1-quinolin-4-yldecan-1-one.
What is the SMILES notation for 1-quinolin-4-yldecan-1-one?
The canonical SMILES for 1-quinolin-4-yldecan-1-one is CCCCCCCCCC(=O)c1ccnc2ccccc12.
What is the InChIKey of 1-quinolin-4-yldecan-1-one?
The InChIKey is UJUNUUNUORSYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-2-3-4-5-6-7-8-13-19(21)17-14-15-20-18-12-10-9-11-16(17)18/h9-12,14-15H,2-8,13H2,1H3.
What are the key properties of 1-quinolin-4-yldecan-1-one?
1-quinolin-4-yldecan-1-one has a molecular weight of 283.41 g/mol, XLogP of 5.56, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-4-yldecan-1-one is sourced from PubChem (CID 105086389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).