3-butyl-6-[4-[(3-butyl-3-hydroxy-2,4-dioxo-1H-quinolin-6-yl)oxy]butoxy]-3-hydroxy-1H-quinoline-2,4-dione

C30H36N2O8 — CID 10530739

IUPAC3-butyl-6-[4-[(3-butyl-3-hydroxy-2,4-dioxo-1H-quinolin-6-yl)oxy]butoxy]-3-hydroxy-1H-quinoline-2,4-dione
SMILESCCCCC1(O)C(=O)Nc2ccc(OCCCCOc3ccc4c(c3)C(=O)C(O)(CCCC)C(=O)N4)cc2C1=O
InChIInChI=1S/C30H36N2O8/c1-3-5-13-29(37)25(33)21-17-19(9-11-23(21)31-27(29)35)39-15-7-8-16-40-20-10-12-24-22(18-20)26(34)30(38,14-6-4-2)28(36)32-24/h9-12,17-18,37-38H,3-8,13-16H2,1-2H3,(H,31,35)(H,32,36)
InChIKeyUQMDVTHIWMZSHP-UHFFFAOYSA-N
MW552.62 g/mol
LogP4.04
Rot. Bonds13

About 3-butyl-6-[4-[(3-butyl-3-hydroxy-2,4-dioxo-1H-quinolin-6-yl)oxy]butoxy]-3-hydroxy-1H-quinoline-2,4-dione

3-butyl-6-[4-[(3-butyl-3-hydroxy-2,4-dioxo-1H-quinolin-6-yl)oxy]butoxy]-3-hydroxy-1H-quinoline-2,4-dione (PubChem CID 10530739) has the molecular formula C30H36N2O8 and a molecular weight of 552.62 g/mol. Its IUPAC name is 3-butyl-6-[4-[(3-butyl-3-hydroxy-2,4-dioxo-1H-quinolin-6-yl)oxy]butoxy]-3-hydroxy-1H-quinoline-2,4-dione.

Molecular Properties

Compound Name3-butyl-6-[4-[(3-butyl-3-hydroxy-2,4-dioxo-1H-quinolin-6-yl)oxy]butoxy]-3-hydroxy-1H-quinoline-2,4-dione
PubChem CID10530739
Molecular FormulaC30H36N2O8
Molecular Weight552.62 g/mol
Exact Mass552.25
IUPAC Name3-butyl-6-[4-[(3-butyl-3-hydroxy-2,4-dioxo-1H-quinolin-6-yl)oxy]butoxy]-3-hydroxy-1H-quinoline-2,4-dione
SMILESCCCCC1(O)C(=O)Nc2ccc(OCCCCOc3ccc4c(c3)C(=O)C(O)(CCCC)C(=O)N4)cc2C1=O
InChIInChI=1S/C30H36N2O8/c1-3-5-13-29(37)25(33)21-17-19(9-11-23(21)31-27(29)35)39-15-7-8-16-40-20-10-12-24-22(18-20)26(34)30(38,14-6-4-2)28(36)32-24/h9-12,17-18,37-38H,3-8,13-16H2,1-2H3,(H,31,35)(H,32,36)
InChIKeyUQMDVTHIWMZSHP-UHFFFAOYSA-N
XLogP4.04
TPSA151.26 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.62
LogP ≤ 54.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-butyl-6-[4-[(3-butyl-3-hydroxy-2,4-dioxo-1H-quinolin-6-yl)oxy]butoxy]-3-hydroxy-1H-quinoline-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

2-butoxy-7-hexoxyfluoren-9-one
CID 6425371
5-butoxy-2,2-dimethoxyindene-1,3-dione
CID 100996354
6-butoxy-2,2,4-tributyl-1H-quinoline
CID 139634173
7-octoxy-4H-1,4-benzothiazin-3-one
CID 45257676
5-octoxy-1,3-dihydroindol-2-one
CID 143867556
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
(2Z)-2-(3-butyl-3-hydroxy-2-oxo-1H-quinolin-4-ylidene)acetic acid
CID 177489818
5-hexoxy-2-benzofuran-1,3-dione
CID 88840475
2-dodecoxy-6-hydroxyanthracene-9,10-dione
CID 71351025
(2E)-5-dodecoxy-2-(hydroxymethylidene)indene-1,3-dione
CID 59879740
7-butoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
CID 82213874
2-butoxy-6-methylnaphthalene
CID 58718847

Frequently Asked Questions

What is the IUPAC name of 3-butyl-6-[4-[(3-butyl-3-hydroxy-2,4-dioxo-1H-quinolin-6-yl)oxy]butoxy]-3-hydroxy-1H-quinoline-2,4-dione?
The IUPAC name of 3-butyl-6-[4-[(3-butyl-3-hydroxy-2,4-dioxo-1H-quinolin-6-yl)oxy]butoxy]-3-hydroxy-1H-quinoline-2,4-dione (CID 10530739) is 3-butyl-6-[4-[(3-butyl-3-hydroxy-2,4-dioxo-1H-quinolin-6-yl)oxy]butoxy]-3-hydroxy-1H-quinoline-2,4-dione.
What is the SMILES notation for 3-butyl-6-[4-[(3-butyl-3-hydroxy-2,4-dioxo-1H-quinolin-6-yl)oxy]butoxy]-3-hydroxy-1H-quinoline-2,4-dione?
The canonical SMILES for 3-butyl-6-[4-[(3-butyl-3-hydroxy-2,4-dioxo-1H-quinolin-6-yl)oxy]butoxy]-3-hydroxy-1H-quinoline-2,4-dione is CCCCC1(O)C(=O)Nc2ccc(OCCCCOc3ccc4c(c3)C(=O)C(O)(CCCC)C(=O)N4)cc2C1=O.
What is the InChIKey of 3-butyl-6-[4-[(3-butyl-3-hydroxy-2,4-dioxo-1H-quinolin-6-yl)oxy]butoxy]-3-hydroxy-1H-quinoline-2,4-dione?
The InChIKey is UQMDVTHIWMZSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O8/c1-3-5-13-29(37)25(33)21-17-19(9-11-23(21)31-27(29)35)39-15-7-8-16-40-20-10-12-24-22(18-20)26(34)30(38,14-6-4-2)28(36)32-24/h9-12,17-18,37-38H,3-8,13-16H2,1-2H3,(H,31,35)(H,32,36).
What are the key properties of 3-butyl-6-[4-[(3-butyl-3-hydroxy-2,4-dioxo-1H-quinolin-6-yl)oxy]butoxy]-3-hydroxy-1H-quinoline-2,4-dione?
3-butyl-6-[4-[(3-butyl-3-hydroxy-2,4-dioxo-1H-quinolin-6-yl)oxy]butoxy]-3-hydroxy-1H-quinoline-2,4-dione has a molecular weight of 552.62 g/mol, XLogP of 4.04, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-6-[4-[(3-butyl-3-hydroxy-2,4-dioxo-1H-quinolin-6-yl)oxy]butoxy]-3-hydroxy-1H-quinoline-2,4-dione is sourced from PubChem (CID 10530739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).