6-hydroxy-8-(4-hydroxy-2-pentylphenoxy)-3-pentyl-1H-quinolin-2-one

C25H31NO4 — CID 129247294

IUPAC6-hydroxy-8-(4-hydroxy-2-pentylphenoxy)-3-pentyl-1H-quinolin-2-one
SMILESCCCCCc1cc(O)ccc1Oc1cc(O)cc2cc(CCCCC)c(=O)[nH]c12
InChIInChI=1S/C25H31NO4/c1-3-5-7-9-17-14-20(27)11-12-22(17)30-23-16-21(28)15-19-13-18(10-8-6-4-2)25(29)26-24(19)23/h11-16,27-28H,3-10H2,1-2H3,(H,26,29)
InChIKeyZGXRGGFESDXEIN-UHFFFAOYSA-N
MW409.53 g/mol
LogP6.20
Rot. Bonds10

About 6-hydroxy-8-(4-hydroxy-2-pentylphenoxy)-3-pentyl-1H-quinolin-2-one

6-hydroxy-8-(4-hydroxy-2-pentylphenoxy)-3-pentyl-1H-quinolin-2-one (PubChem CID 129247294) has the molecular formula C25H31NO4 and a molecular weight of 409.53 g/mol. Its IUPAC name is 6-hydroxy-8-(4-hydroxy-2-pentylphenoxy)-3-pentyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-hydroxy-8-(4-hydroxy-2-pentylphenoxy)-3-pentyl-1H-quinolin-2-one
PubChem CID129247294
Molecular FormulaC25H31NO4
Molecular Weight409.53 g/mol
Exact Mass409.23
IUPAC Name6-hydroxy-8-(4-hydroxy-2-pentylphenoxy)-3-pentyl-1H-quinolin-2-one
SMILESCCCCCc1cc(O)ccc1Oc1cc(O)cc2cc(CCCCC)c(=O)[nH]c12
InChIInChI=1S/C25H31NO4/c1-3-5-7-9-17-14-20(27)11-12-22(17)30-23-16-21(28)15-19-13-18(10-8-6-4-2)25(29)26-24(19)23/h11-16,27-28H,3-10H2,1-2H3,(H,26,29)
InChIKeyZGXRGGFESDXEIN-UHFFFAOYSA-N
XLogP6.20
TPSA82.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 56.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-(2,4-dihydroxy-6-pentylphenoxy)-6-hydroxy-3-pentyl-1H-quinolin-2-one
CID 129247224
ethane-1,2-diol;ethene;4-(4-hydroxy-2-nonylphenoxy)-3-nonylphenol
CID 70258272
3-butyl-8-hydroxy-1H-quinolin-2-one
CID 160626954
8-(2,4-dihydroxy-6-pentylphenoxy)-6-hydroxy-3-pentyl-2H-isoquinolin-1-one
CID 163339301
5-hydroxy-2-(2-tridecylphenoxy)benzenesulfonic acid
CID 101296486
2-tridecylbenzene-1,4-diol
CID 19033717
4-(4-hydroxyphenoxy)-3-octylbenzenesulfonic acid
CID 101293821
3-decyl-4-(4-hydroxyphenoxy)benzenesulfonic acid
CID 101295034
7-ethyl-3-hexyl-1H-quinolin-2-one
CID 70425300
3-(10-pentoxydecyl)-1H-quinolin-2-one
CID 139729721
CID 70369806
CID 70369806
CID 70568956
CID 70568956

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-8-(4-hydroxy-2-pentylphenoxy)-3-pentyl-1H-quinolin-2-one?
The IUPAC name of 6-hydroxy-8-(4-hydroxy-2-pentylphenoxy)-3-pentyl-1H-quinolin-2-one (CID 129247294) is 6-hydroxy-8-(4-hydroxy-2-pentylphenoxy)-3-pentyl-1H-quinolin-2-one.
What is the SMILES notation for 6-hydroxy-8-(4-hydroxy-2-pentylphenoxy)-3-pentyl-1H-quinolin-2-one?
The canonical SMILES for 6-hydroxy-8-(4-hydroxy-2-pentylphenoxy)-3-pentyl-1H-quinolin-2-one is CCCCCc1cc(O)ccc1Oc1cc(O)cc2cc(CCCCC)c(=O)[nH]c12.
What is the InChIKey of 6-hydroxy-8-(4-hydroxy-2-pentylphenoxy)-3-pentyl-1H-quinolin-2-one?
The InChIKey is ZGXRGGFESDXEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO4/c1-3-5-7-9-17-14-20(27)11-12-22(17)30-23-16-21(28)15-19-13-18(10-8-6-4-2)25(29)26-24(19)23/h11-16,27-28H,3-10H2,1-2H3,(H,26,29).
What are the key properties of 6-hydroxy-8-(4-hydroxy-2-pentylphenoxy)-3-pentyl-1H-quinolin-2-one?
6-hydroxy-8-(4-hydroxy-2-pentylphenoxy)-3-pentyl-1H-quinolin-2-one has a molecular weight of 409.53 g/mol, XLogP of 6.20, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-8-(4-hydroxy-2-pentylphenoxy)-3-pentyl-1H-quinolin-2-one is sourced from PubChem (CID 129247294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).