7-ethyl-3-hexyl-1H-quinolin-2-one

C17H23NO — CID 70425300

IUPAC7-ethyl-3-hexyl-1H-quinolin-2-one
SMILESCCCCCCc1cc2ccc(CC)cc2[nH]c1=O
InChIInChI=1S/C17H23NO/c1-3-5-6-7-8-15-12-14-10-9-13(4-2)11-16(14)18-17(15)19/h9-12H,3-8H2,1-2H3,(H,18,19)
InChIKeyXOYKHGILBSBMKE-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.21
Rot. Bonds6

About 7-ethyl-3-hexyl-1H-quinolin-2-one

7-ethyl-3-hexyl-1H-quinolin-2-one (PubChem CID 70425300) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 7-ethyl-3-hexyl-1H-quinolin-2-one.

Molecular Properties

Compound Name7-ethyl-3-hexyl-1H-quinolin-2-one
PubChem CID70425300
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name7-ethyl-3-hexyl-1H-quinolin-2-one
SMILESCCCCCCc1cc2ccc(CC)cc2[nH]c1=O
InChIInChI=1S/C17H23NO/c1-3-5-6-7-8-15-12-14-10-9-13(4-2)11-16(14)18-17(15)19/h9-12H,3-8H2,1-2H3,(H,18,19)
InChIKeyXOYKHGILBSBMKE-UHFFFAOYSA-N
XLogP4.21
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(10-pentoxydecyl)-1H-quinolin-2-one
CID 139729721
4-ethyl-2-hexyl-1-methylbenzene
CID 54443410
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
CID 110331188
7-butyl-1H-quinolin-2-one
CID 119093138
3-ethyl-7-(piperazin-1-ylmethyl)-1H-quinolin-2-one
CID 70269014
5-ethyl-2-hexylaniline
CID 22065589
4-ethyl-2-methyl-1-pentylbenzene
CID 143596455
3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
CID 110298877
3-ethyl-2-oxo-1H-quinoline-7-carboxylic acid
CID 59474824
3-ethyl-7-(ethylamino)-1H-quinolin-2-one
CID 170712582
5-ethyl-1,2,3-tri(tetracosyl)benzene
CID 90881176
3-(3-methyl-2-oxo-1H-quinolin-7-yl)-N-pentylpropanamide
CID 110390014

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-hexyl-1H-quinolin-2-one?
The IUPAC name of 7-ethyl-3-hexyl-1H-quinolin-2-one (CID 70425300) is 7-ethyl-3-hexyl-1H-quinolin-2-one.
What is the SMILES notation for 7-ethyl-3-hexyl-1H-quinolin-2-one?
The canonical SMILES for 7-ethyl-3-hexyl-1H-quinolin-2-one is CCCCCCc1cc2ccc(CC)cc2[nH]c1=O.
What is the InChIKey of 7-ethyl-3-hexyl-1H-quinolin-2-one?
The InChIKey is XOYKHGILBSBMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-3-5-6-7-8-15-12-14-10-9-13(4-2)11-16(14)18-17(15)19/h9-12H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 7-ethyl-3-hexyl-1H-quinolin-2-one?
7-ethyl-3-hexyl-1H-quinolin-2-one has a molecular weight of 257.38 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-hexyl-1H-quinolin-2-one is sourced from PubChem (CID 70425300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).