3-butoxy-4-hexoxy-7-hydroxy-1H-quinolin-2-one

C19H27NO4 — CID 139716948

IUPAC3-butoxy-4-hexoxy-7-hydroxy-1H-quinolin-2-one
SMILESCCCCCCOc1c(OCCCC)c(=O)[nH]c2cc(O)ccc12
InChIInChI=1S/C19H27NO4/c1-3-5-7-8-12-23-17-15-10-9-14(21)13-16(15)20-19(22)18(17)24-11-6-4-2/h9-10,13,21H,3-8,11-12H2,1-2H3,(H,20,22)
InChIKeyBPTMSUSSYHSZEK-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.37
Rot. Bonds10

About 3-butoxy-4-hexoxy-7-hydroxy-1H-quinolin-2-one

3-butoxy-4-hexoxy-7-hydroxy-1H-quinolin-2-one (PubChem CID 139716948) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-butoxy-4-hexoxy-7-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-butoxy-4-hexoxy-7-hydroxy-1H-quinolin-2-one
PubChem CID139716948
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name3-butoxy-4-hexoxy-7-hydroxy-1H-quinolin-2-one
SMILESCCCCCCOc1c(OCCCC)c(=O)[nH]c2cc(O)ccc12
InChIInChI=1S/C19H27NO4/c1-3-5-7-8-12-23-17-15-10-9-14(21)13-16(15)20-19(22)18(17)24-11-6-4-2/h9-10,13,21H,3-8,11-12H2,1-2H3,(H,20,22)
InChIKeyBPTMSUSSYHSZEK-UHFFFAOYSA-N
XLogP4.37
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.37
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-butoxy-7-hydroxy-3-octoxy-1H-quinolin-2-one
CID 139718292
4-butoxy-3-octoxy-7-phenylmethoxy-1H-quinolin-2-one
CID 139718526
3-hydroxy-4-methoxy-7-octoxy-1H-quinolin-2-one
CID 139717151
4-butoxy-7-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 139717001
4-butoxy-7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-hexoxy-1H-quinolin-2-one
CID 139717318
7-(ethylamino)-3-hexoxy-4-methoxy-1H-quinolin-2-one
CID 23301146
(7-hexoxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate
CID 139718077
4-butoxy-3-hydroxy-7-nitro-1H-quinolin-2-one
CID 23300637
4-butoxy-3-methoxy-7-nitro-1H-quinolin-2-one
CID 23300869
(4-hexoxy-2-oxo-1H-quinolin-3-yl) formate
CID 140979730
7-butoxy-4-methoxy-3-(3-methylbut-2-enoxy)-1H-quinolin-2-one
CID 139716963
4-(3,7-dimethylocta-2,6-dienoxy)-7-(ethylamino)-3-hexoxy-1H-quinolin-2-one
CID 54040035

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-4-hexoxy-7-hydroxy-1H-quinolin-2-one?
The IUPAC name of 3-butoxy-4-hexoxy-7-hydroxy-1H-quinolin-2-one (CID 139716948) is 3-butoxy-4-hexoxy-7-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 3-butoxy-4-hexoxy-7-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 3-butoxy-4-hexoxy-7-hydroxy-1H-quinolin-2-one is CCCCCCOc1c(OCCCC)c(=O)[nH]c2cc(O)ccc12.
What is the InChIKey of 3-butoxy-4-hexoxy-7-hydroxy-1H-quinolin-2-one?
The InChIKey is BPTMSUSSYHSZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-3-5-7-8-12-23-17-15-10-9-14(21)13-16(15)20-19(22)18(17)24-11-6-4-2/h9-10,13,21H,3-8,11-12H2,1-2H3,(H,20,22).
What are the key properties of 3-butoxy-4-hexoxy-7-hydroxy-1H-quinolin-2-one?
3-butoxy-4-hexoxy-7-hydroxy-1H-quinolin-2-one has a molecular weight of 333.43 g/mol, XLogP of 4.37, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-4-hexoxy-7-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 139716948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).