3-ethyl-1-quinolin-5-ylheptan-1-one

C18H23NO — CID 105082043

IUPAC3-ethyl-1-quinolin-5-ylheptan-1-one
SMILESCCCCC(CC)CC(=O)c1cccc2ncccc12
InChIInChI=1S/C18H23NO/c1-3-5-8-14(4-2)13-18(20)16-9-6-11-17-15(16)10-7-12-19-17/h6-7,9-12,14H,3-5,8,13H2,1-2H3
InChIKeyOSJDHDSEKLHCBS-UHFFFAOYSA-N
MW269.39 g/mol
LogP5.02
Rot. Bonds7

About 3-ethyl-1-quinolin-5-ylheptan-1-one

3-ethyl-1-quinolin-5-ylheptan-1-one (PubChem CID 105082043) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-ethyl-1-quinolin-5-ylheptan-1-one.

Molecular Properties

Compound Name3-ethyl-1-quinolin-5-ylheptan-1-one
PubChem CID105082043
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3-ethyl-1-quinolin-5-ylheptan-1-one
SMILESCCCCC(CC)CC(=O)c1cccc2ncccc12
InChIInChI=1S/C18H23NO/c1-3-5-8-14(4-2)13-18(20)16-9-6-11-17-15(16)10-7-12-19-17/h6-7,9-12,14H,3-5,8,13H2,1-2H3
InChIKeyOSJDHDSEKLHCBS-UHFFFAOYSA-N
XLogP5.02
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.39
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-quinolin-5-ylhexan-1-one
CID 115789824
3-ethyl-1-(2-fluoro-3-methylphenyl)heptan-1-one
CID 114963769
5-amino-1-quinolin-5-ylhexan-1-one
CID 116610193
1-(3-chloro-2-methylphenyl)-3-ethylheptan-1-one
CID 107101520
2-ethoxy-1-quinolin-5-ylbutan-1-one
CID 116707471
3-methyl-1-quinolin-5-ylbut-3-en-1-one
CID 105112604
3-ethyl-1-naphthalen-1-ylpentan-1-one
CID 82920782
2-phenyl-1-quinolin-5-ylbutan-1-one
CID 115789663
1-quinolin-5-ylbut-3-yn-1-one
CID 105076404
1-quinolin-4-yldecan-1-one
CID 105086389
2-(2-ethylhexyl)pyridine-3-carboxamide
CID 71001872
3,3,3-trifluoro-1-quinolin-5-ylpropan-1-one
CID 81220780

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-quinolin-5-ylheptan-1-one?
The IUPAC name of 3-ethyl-1-quinolin-5-ylheptan-1-one (CID 105082043) is 3-ethyl-1-quinolin-5-ylheptan-1-one.
What is the SMILES notation for 3-ethyl-1-quinolin-5-ylheptan-1-one?
The canonical SMILES for 3-ethyl-1-quinolin-5-ylheptan-1-one is CCCCC(CC)CC(=O)c1cccc2ncccc12.
What is the InChIKey of 3-ethyl-1-quinolin-5-ylheptan-1-one?
The InChIKey is OSJDHDSEKLHCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-5-8-14(4-2)13-18(20)16-9-6-11-17-15(16)10-7-12-19-17/h6-7,9-12,14H,3-5,8,13H2,1-2H3.
What are the key properties of 3-ethyl-1-quinolin-5-ylheptan-1-one?
3-ethyl-1-quinolin-5-ylheptan-1-one has a molecular weight of 269.39 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-quinolin-5-ylheptan-1-one is sourced from PubChem (CID 105082043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).