7-(ethylamino)-3-hexoxy-4-methoxy-1H-quinolin-2-one

C18H26N2O3 — CID 23301146

IUPAC7-(ethylamino)-3-hexoxy-4-methoxy-1H-quinolin-2-one
SMILESCCCCCCOc1c(OC)c2ccc(NCC)cc2[nH]c1=O
InChIInChI=1S/C18H26N2O3/c1-4-6-7-8-11-23-17-16(22-3)14-10-9-13(19-5-2)12-15(14)20-18(17)21/h9-10,12,19H,4-8,11H2,1-3H3,(H,20,21)
InChIKeyOKELTXAKMLNBID-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.93
Rot. Bonds9

About 7-(ethylamino)-3-hexoxy-4-methoxy-1H-quinolin-2-one

7-(ethylamino)-3-hexoxy-4-methoxy-1H-quinolin-2-one (PubChem CID 23301146) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 7-(ethylamino)-3-hexoxy-4-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(ethylamino)-3-hexoxy-4-methoxy-1H-quinolin-2-one
PubChem CID23301146
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name7-(ethylamino)-3-hexoxy-4-methoxy-1H-quinolin-2-one
SMILESCCCCCCOc1c(OC)c2ccc(NCC)cc2[nH]c1=O
InChIInChI=1S/C18H26N2O3/c1-4-6-7-8-11-23-17-16(22-3)14-10-9-13(19-5-2)12-15(14)20-18(17)21/h9-10,12,19H,4-8,11H2,1-3H3,(H,20,21)
InChIKeyOKELTXAKMLNBID-UHFFFAOYSA-N
XLogP3.93
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3,7-dimethylocta-2,6-dienoxy)-7-(ethylamino)-3-hexoxy-1H-quinolin-2-one
CID 54040035
3-butoxy-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-(ethylamino)-1H-quinolin-2-one
CID 23300175
(7-hexoxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate
CID 139718077
3-butoxy-4-hexoxy-7-hydroxy-1H-quinolin-2-one
CID 139716948
4-butoxy-7-hydroxy-3-octoxy-1H-quinolin-2-one
CID 139718292
3-hydroxy-4-methoxy-7-octoxy-1H-quinolin-2-one
CID 139717151
7-butoxy-4-methoxy-3-(3-methylbut-2-enoxy)-1H-quinolin-2-one
CID 139716963
4-butoxy-3-octoxy-7-phenylmethoxy-1H-quinolin-2-one
CID 139718526
4-butoxy-3-methoxy-7-nitro-1H-quinolin-2-one
CID 23300869
3-butoxy-7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-1H-quinolin-2-one
CID 139718255
4-butoxy-7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-hexoxy-1H-quinolin-2-one
CID 139717318
(4-hexoxy-2-oxo-1H-quinolin-3-yl) formate
CID 140979730

Frequently Asked Questions

What is the IUPAC name of 7-(ethylamino)-3-hexoxy-4-methoxy-1H-quinolin-2-one?
The IUPAC name of 7-(ethylamino)-3-hexoxy-4-methoxy-1H-quinolin-2-one (CID 23301146) is 7-(ethylamino)-3-hexoxy-4-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 7-(ethylamino)-3-hexoxy-4-methoxy-1H-quinolin-2-one?
The canonical SMILES for 7-(ethylamino)-3-hexoxy-4-methoxy-1H-quinolin-2-one is CCCCCCOc1c(OC)c2ccc(NCC)cc2[nH]c1=O.
What is the InChIKey of 7-(ethylamino)-3-hexoxy-4-methoxy-1H-quinolin-2-one?
The InChIKey is OKELTXAKMLNBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-6-7-8-11-23-17-16(22-3)14-10-9-13(19-5-2)12-15(14)20-18(17)21/h9-10,12,19H,4-8,11H2,1-3H3,(H,20,21).
What are the key properties of 7-(ethylamino)-3-hexoxy-4-methoxy-1H-quinolin-2-one?
7-(ethylamino)-3-hexoxy-4-methoxy-1H-quinolin-2-one has a molecular weight of 318.42 g/mol, XLogP of 3.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(ethylamino)-3-hexoxy-4-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 23301146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).