7-amino-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-1H-quinolin-2-one

C20H26N2O3 — CID 70251836

IUPAC7-amino-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-1H-quinolin-2-one
SMILESCOc1c(OC/C=C(\C)CCC=C(C)C)c(=O)[nH]c2cc(N)ccc12
InChIInChI=1S/C20H26N2O3/c1-13(2)6-5-7-14(3)10-11-25-19-18(24-4)16-9-8-15(21)12-17(16)22-20(19)23/h6,8-10,12H,5,7,11,21H2,1-4H3,(H,22,23)/b14-10+
InChIKeyURRUVSOLBZGJMB-GXDHUFHOSA-N
MW342.44 g/mol
LogP4.19
Rot. Bonds7

About 7-amino-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-1H-quinolin-2-one

7-amino-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-1H-quinolin-2-one (PubChem CID 70251836) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 7-amino-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-1H-quinolin-2-one
PubChem CID70251836
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name7-amino-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-1H-quinolin-2-one
SMILESCOc1c(OC/C=C(\C)CCC=C(C)C)c(=O)[nH]c2cc(N)ccc12
InChIInChI=1S/C20H26N2O3/c1-13(2)6-5-7-14(3)10-11-25-19-18(24-4)16-9-8-15(21)12-17(16)22-20(19)23/h6,8-10,12H,5,7,11,21H2,1-4H3,(H,22,23)/b14-10+
InChIKeyURRUVSOLBZGJMB-GXDHUFHOSA-N
XLogP4.19
TPSA77.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-1H-quinolin-2-one?
The IUPAC name of 7-amino-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-1H-quinolin-2-one (CID 70251836) is 7-amino-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-1H-quinolin-2-one?
The canonical SMILES for 7-amino-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-1H-quinolin-2-one is COc1c(OC/C=C(\C)CCC=C(C)C)c(=O)[nH]c2cc(N)ccc12.
What is the InChIKey of 7-amino-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-1H-quinolin-2-one?
The InChIKey is URRUVSOLBZGJMB-GXDHUFHOSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-13(2)6-5-7-14(3)10-11-25-19-18(24-4)16-9-8-15(21)12-17(16)22-20(19)23/h6,8-10,12H,5,7,11,21H2,1-4H3,(H,22,23)/b14-10+.
What are the key properties of 7-amino-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-1H-quinolin-2-one?
7-amino-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-1H-quinolin-2-one has a molecular weight of 342.44 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 70251836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).