7-butoxy-4-methoxy-3-(3-methylbut-2-enoxy)-1H-quinolin-2-one

C19H25NO4 — CID 139716963

IUPAC7-butoxy-4-methoxy-3-(3-methylbut-2-enoxy)-1H-quinolin-2-one
SMILESCCCCOc1ccc2c(OC)c(OCC=C(C)C)c(=O)[nH]c2c1
InChIInChI=1S/C19H25NO4/c1-5-6-10-23-14-7-8-15-16(12-14)20-19(21)18(17(15)22-4)24-11-9-13(2)3/h7-9,12H,5-6,10-11H2,1-4H3,(H,20,21)
InChIKeyJKAPFKRXHDTJGJ-UHFFFAOYSA-N
MW331.41 g/mol
LogP4.06
Rot. Bonds8

About 7-butoxy-4-methoxy-3-(3-methylbut-2-enoxy)-1H-quinolin-2-one

7-butoxy-4-methoxy-3-(3-methylbut-2-enoxy)-1H-quinolin-2-one (PubChem CID 139716963) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 7-butoxy-4-methoxy-3-(3-methylbut-2-enoxy)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-butoxy-4-methoxy-3-(3-methylbut-2-enoxy)-1H-quinolin-2-one
PubChem CID139716963
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name7-butoxy-4-methoxy-3-(3-methylbut-2-enoxy)-1H-quinolin-2-one
SMILESCCCCOc1ccc2c(OC)c(OCC=C(C)C)c(=O)[nH]c2c1
InChIInChI=1S/C19H25NO4/c1-5-6-10-23-14-7-8-15-16(12-14)20-19(21)18(17(15)22-4)24-11-9-13(2)3/h7-9,12H,5-6,10-11H2,1-4H3,(H,20,21)
InChIKeyJKAPFKRXHDTJGJ-UHFFFAOYSA-N
XLogP4.06
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-butoxy-7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-1H-quinolin-2-one
CID 139718255
(7-hexoxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate
CID 139718077
4-butoxy-7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-hexoxy-1H-quinolin-2-one
CID 139717318
3-hydroxy-4-methoxy-7-octoxy-1H-quinolin-2-one
CID 139717151
3-butoxy-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-(ethylamino)-1H-quinolin-2-one
CID 23300175
7-amino-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-1H-quinolin-2-one
CID 70251836
3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-methoxy-4-propan-2-yloxy-1H-quinolin-2-one
CID 139717017
4-butoxy-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-1H-quinolin-2-one
CID 23301197
4-(3,7-dimethylocta-2,6-dienoxy)-7-(ethylamino)-3-hexoxy-1H-quinolin-2-one
CID 54040035
7-(ethylamino)-3-hexoxy-4-methoxy-1H-quinolin-2-one
CID 23301146
7-decoxy-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxychromen-2-one
CID 19929896
3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-methoxy-4-phenylmethoxy-1H-quinolin-2-one
CID 139717739

Frequently Asked Questions

What is the IUPAC name of 7-butoxy-4-methoxy-3-(3-methylbut-2-enoxy)-1H-quinolin-2-one?
The IUPAC name of 7-butoxy-4-methoxy-3-(3-methylbut-2-enoxy)-1H-quinolin-2-one (CID 139716963) is 7-butoxy-4-methoxy-3-(3-methylbut-2-enoxy)-1H-quinolin-2-one.
What is the SMILES notation for 7-butoxy-4-methoxy-3-(3-methylbut-2-enoxy)-1H-quinolin-2-one?
The canonical SMILES for 7-butoxy-4-methoxy-3-(3-methylbut-2-enoxy)-1H-quinolin-2-one is CCCCOc1ccc2c(OC)c(OCC=C(C)C)c(=O)[nH]c2c1.
What is the InChIKey of 7-butoxy-4-methoxy-3-(3-methylbut-2-enoxy)-1H-quinolin-2-one?
The InChIKey is JKAPFKRXHDTJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-5-6-10-23-14-7-8-15-16(12-14)20-19(21)18(17(15)22-4)24-11-9-13(2)3/h7-9,12H,5-6,10-11H2,1-4H3,(H,20,21).
What are the key properties of 7-butoxy-4-methoxy-3-(3-methylbut-2-enoxy)-1H-quinolin-2-one?
7-butoxy-4-methoxy-3-(3-methylbut-2-enoxy)-1H-quinolin-2-one has a molecular weight of 331.41 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butoxy-4-methoxy-3-(3-methylbut-2-enoxy)-1H-quinolin-2-one is sourced from PubChem (CID 139716963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).