3-(5-hydroxy-2-methylpentan-2-yl)-7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one

C18H28N2O3 — CID 143543997

IUPAC3-(5-hydroxy-2-methylpentan-2-yl)-7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one
SMILESCCCN1C(=O)C(C(C)(C)CCCO)Nc2ccc(OC)cc21
InChIInChI=1S/C18H28N2O3/c1-5-10-20-15-12-13(23-4)7-8-14(15)19-16(17(20)22)18(2,3)9-6-11-21/h7-8,12,16,19,21H,5-6,9-11H2,1-4H3
InChIKeyVBKHRHWETAOBQJ-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.03
Rot. Bonds7

About 3-(5-hydroxy-2-methylpentan-2-yl)-7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one

3-(5-hydroxy-2-methylpentan-2-yl)-7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one (PubChem CID 143543997) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 3-(5-hydroxy-2-methylpentan-2-yl)-7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name3-(5-hydroxy-2-methylpentan-2-yl)-7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one
PubChem CID143543997
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name3-(5-hydroxy-2-methylpentan-2-yl)-7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one
SMILESCCCN1C(=O)C(C(C)(C)CCCO)Nc2ccc(OC)cc21
InChIInChI=1S/C18H28N2O3/c1-5-10-20-15-12-13(23-4)7-8-14(15)19-16(17(20)22)18(2,3)9-6-11-21/h7-8,12,16,19,21H,5-6,9-11H2,1-4H3
InChIKeyVBKHRHWETAOBQJ-UHFFFAOYSA-N
XLogP3.03
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one
CID 84623560
2-ethyl-6-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline
CID 84620800
6-(2,4-dimethoxyphenyl)-4,7,8-trimethyl-2-propyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73280894
1-butyl-6-methoxyindole-2,3-dione
CID 25194457
5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-3,7-dimethyl-2,7-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 70422032
3-butyl-5-methoxy-1,3-dihydroindol-2-one
CID 103846259
9-(2,5-dimethoxyphenyl)-3-(3-hydroxypropyl)-1,7-dimethyl-6,7,8,9a,10,10a-hexahydro-4aH-purino[7,8-a]pyrimidine-2,4-dione
CID 73328599
(5S)-5-(4-methoxyanilino)-3-propyl-1,3-thiazolidine-2,4-dione
CID 51566651
(3R)-3-(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-quinoxalin-2-one
CID 166462052
1-(hydroxymethyl)-7-methoxy-3,4-dihydroquinolin-2-one
CID 135138136
4-(3-amino-6-methoxy-2-oxo-3H-indol-1-yl)butanenitrile
CID 114992908
3-butoxy-4-hydroxy-7-methoxy-1-methylquinolin-2-one
CID 139717157

Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxy-2-methylpentan-2-yl)-7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 3-(5-hydroxy-2-methylpentan-2-yl)-7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one (CID 143543997) is 3-(5-hydroxy-2-methylpentan-2-yl)-7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 3-(5-hydroxy-2-methylpentan-2-yl)-7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 3-(5-hydroxy-2-methylpentan-2-yl)-7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one is CCCN1C(=O)C(C(C)(C)CCCO)Nc2ccc(OC)cc21.
What is the InChIKey of 3-(5-hydroxy-2-methylpentan-2-yl)-7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is VBKHRHWETAOBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-5-10-20-15-12-13(23-4)7-8-14(15)19-16(17(20)22)18(2,3)9-6-11-21/h7-8,12,16,19,21H,5-6,9-11H2,1-4H3.
What are the key properties of 3-(5-hydroxy-2-methylpentan-2-yl)-7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one?
3-(5-hydroxy-2-methylpentan-2-yl)-7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one has a molecular weight of 320.43 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxy-2-methylpentan-2-yl)-7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 143543997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).