3-(10-pentoxydecyl)-1H-quinolin-2-one

C24H37NO2 — CID 139729721

IUPAC3-(10-pentoxydecyl)-1H-quinolin-2-one
SMILESCCCCCOCCCCCCCCCCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C24H37NO2/c1-2-3-13-18-27-19-14-9-7-5-4-6-8-10-16-22-20-21-15-11-12-17-23(21)25-24(22)26/h11-12,15,17,20H,2-10,13-14,16,18-19H2,1H3,(H,25,26)
InChIKeyQATIUHIZDPNTJU-UHFFFAOYSA-N
MW371.57 g/mol
LogP6.40
Rot. Bonds15

About 3-(10-pentoxydecyl)-1H-quinolin-2-one

3-(10-pentoxydecyl)-1H-quinolin-2-one (PubChem CID 139729721) has the molecular formula C24H37NO2 and a molecular weight of 371.57 g/mol. Its IUPAC name is 3-(10-pentoxydecyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(10-pentoxydecyl)-1H-quinolin-2-one
PubChem CID139729721
Molecular FormulaC24H37NO2
Molecular Weight371.57 g/mol
Exact Mass371.28
IUPAC Name3-(10-pentoxydecyl)-1H-quinolin-2-one
SMILESCCCCCOCCCCCCCCCCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C24H37NO2/c1-2-3-13-18-27-19-14-9-7-5-4-6-8-10-16-22-20-21-15-11-12-17-23(21)25-24(22)26/h11-12,15,17,20H,2-10,13-14,16,18-19H2,1H3,(H,25,26)
InChIKeyQATIUHIZDPNTJU-UHFFFAOYSA-N
XLogP6.40
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.57
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-propoxypropyl)-1H-quinolin-2-one
CID 141362914
hexyl 2-(2-oxo-1H-quinolin-3-yl)acetate
CID 102076314
7-ethyl-3-hexyl-1H-quinolin-2-one
CID 70425300
butyl-[(2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 2014669
(2-oxo-1H-quinolin-3-yl)methyl pentanoate
CID 17101124
2-heptyl-1H-indole
CID 3719004
2-hexyl-1H-indole
CID 14299246
2,3-dioctadecylpentacene
CID 91251003
2,3-diheptylanthracene
CID 14089075
3-butyl-8-hydroxy-1H-quinolin-2-one
CID 160626954
3-(4-butoxybutyl)naphthalene-1,2-diol
CID 139729725
3-heptyl-4-methyl-1H-quinolin-2-one
CID 70126082

Frequently Asked Questions

What is the IUPAC name of 3-(10-pentoxydecyl)-1H-quinolin-2-one?
The IUPAC name of 3-(10-pentoxydecyl)-1H-quinolin-2-one (CID 139729721) is 3-(10-pentoxydecyl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(10-pentoxydecyl)-1H-quinolin-2-one?
The canonical SMILES for 3-(10-pentoxydecyl)-1H-quinolin-2-one is CCCCCOCCCCCCCCCCc1cc2ccccc2[nH]c1=O.
What is the InChIKey of 3-(10-pentoxydecyl)-1H-quinolin-2-one?
The InChIKey is QATIUHIZDPNTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO2/c1-2-3-13-18-27-19-14-9-7-5-4-6-8-10-16-22-20-21-15-11-12-17-23(21)25-24(22)26/h11-12,15,17,20H,2-10,13-14,16,18-19H2,1H3,(H,25,26).
What are the key properties of 3-(10-pentoxydecyl)-1H-quinolin-2-one?
3-(10-pentoxydecyl)-1H-quinolin-2-one has a molecular weight of 371.57 g/mol, XLogP of 6.40, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-pentoxydecyl)-1H-quinolin-2-one is sourced from PubChem (CID 139729721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).