7-amino-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-3-hydroxyquinolin-2-one

C25H36N2O3 — CID 23300129

IUPAC7-amino-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-3-hydroxyquinolin-2-one
SMILESCCCCCCn1c(=O)c(O)c(OC/C=C(\C)CCC=C(C)C)c2ccc(N)cc21
InChIInChI=1S/C25H36N2O3/c1-5-6-7-8-15-27-22-17-20(26)12-13-21(22)24(23(28)25(27)29)30-16-14-19(4)11-9-10-18(2)3/h10,12-14,17,28H,5-9,11,15-16,26H2,1-4H3/b19-14+
InChIKeyRZLJHDZLOAWRDY-XMHGGMMESA-N
MW412.57 g/mol
LogP5.94
Rot. Bonds11

About 7-amino-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-3-hydroxyquinolin-2-one

7-amino-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-3-hydroxyquinolin-2-one (PubChem CID 23300129) has the molecular formula C25H36N2O3 and a molecular weight of 412.57 g/mol. Its IUPAC name is 7-amino-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-3-hydroxyquinolin-2-one.

Molecular Properties

Compound Name7-amino-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-3-hydroxyquinolin-2-one
PubChem CID23300129
Molecular FormulaC25H36N2O3
Molecular Weight412.57 g/mol
Exact Mass412.27
IUPAC Name7-amino-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-3-hydroxyquinolin-2-one
SMILESCCCCCCn1c(=O)c(O)c(OC/C=C(\C)CCC=C(C)C)c2ccc(N)cc21
InChIInChI=1S/C25H36N2O3/c1-5-6-7-8-15-27-22-17-20(26)12-13-21(22)24(23(28)25(27)29)30-16-14-19(4)11-9-10-18(2)3/h10,12-14,17,28H,5-9,11,15-16,26H2,1-4H3/b19-14+
InChIKeyRZLJHDZLOAWRDY-XMHGGMMESA-N
XLogP5.94
TPSA77.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.57
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-amino-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-3-hydroxyquinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

7-amino-3,4-bis(3,7-dimethylocta-2,6-dienoxy)-1-hexylquinolin-2-one
CID 54250246
7-amino-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-octyl-4-pent-2-en-3-yloxyquinolin-2-one
CID 70252670
4-(3,7-dimethylocta-2,6-dienoxy)-3-hydroxy-7-nitro-1-octylquinolin-2-one
CID 54549871
7-butoxy-1-butyl-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-hydroxyquinolin-2-one
CID 139718091
7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-3,4-dihydroxyquinolin-2-one
CID 139717203
[7-amino-4-(3-methylbut-2-enoxy)-1-octyl-2-oxoquinolin-3-yl] acetate
CID 23301111
4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-hydroxy-1-octyl-3-prop-2-enoxyquinolin-2-one
CID 139718328
1-butyl-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-hydroxy-7-phenylmethoxyquinolin-2-one
CID 139718552
4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dimethoxy-1-octylquinolin-2-one
CID 139718282
3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-hydroxy-7-nitro-1-octylquinolin-2-one
CID 54713836
7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-3,4-dimethoxyquinolin-2-one
CID 139717384
7-amino-3-(3,7-dimethylocta-2,6-dienoxy)-4-hydroxy-1-methylquinolin-2-one
CID 54736736

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-3-hydroxyquinolin-2-one?
The IUPAC name of 7-amino-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-3-hydroxyquinolin-2-one (CID 23300129) is 7-amino-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-3-hydroxyquinolin-2-one.
What is the SMILES notation for 7-amino-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-3-hydroxyquinolin-2-one?
The canonical SMILES for 7-amino-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-3-hydroxyquinolin-2-one is CCCCCCn1c(=O)c(O)c(OC/C=C(\C)CCC=C(C)C)c2ccc(N)cc21.
What is the InChIKey of 7-amino-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-3-hydroxyquinolin-2-one?
The InChIKey is RZLJHDZLOAWRDY-XMHGGMMESA-N. The full InChI is InChI=1S/C25H36N2O3/c1-5-6-7-8-15-27-22-17-20(26)12-13-21(22)24(23(28)25(27)29)30-16-14-19(4)11-9-10-18(2)3/h10,12-14,17,28H,5-9,11,15-16,26H2,1-4H3/b19-14+.
What are the key properties of 7-amino-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-3-hydroxyquinolin-2-one?
7-amino-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-3-hydroxyquinolin-2-one has a molecular weight of 412.57 g/mol, XLogP of 5.94, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-3-hydroxyquinolin-2-one is sourced from PubChem (CID 23300129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).