carbanide;1,5,6,8-tetramethyl-N-(3-methyl-4-oxopentan-2-yl)-4-oxo-7H-quinolin-7-ide-3-carboxamide;uranium(2+)

C21H28N2O3U — CID 18685826

IUPACcarbanide;1,5,6,8-tetramethyl-N-(3-methyl-4-oxopentan-2-yl)-4-oxo-7H-quinolin-7-ide-3-carboxamide;uranium(2+)
SMILESCC(=O)C(C)C(C)NC(=O)c1cn(C)c2c(C)[c-]c(C)c(C)c2c1=O.[CH3-].[U+2]
InChIInChI=1S/C20H25N2O3.CH3.U/c1-10-8-11(2)18-17(12(10)3)19(24)16(9-22(18)7)20(25)21-14(5)13(4)15(6)23;;/h9,13-14H,1-7H3,(H,21,25);1H3;/q2*-1;+2
InChIKeyCXAQGVIBZWNGHV-UHFFFAOYSA-N
MW594.50 g/mol
LogP3.06
Rot. Bonds4

About carbanide;1,5,6,8-tetramethyl-N-(3-methyl-4-oxopentan-2-yl)-4-oxo-7H-quinolin-7-ide-3-carboxamide;uranium(2+)

carbanide;1,5,6,8-tetramethyl-N-(3-methyl-4-oxopentan-2-yl)-4-oxo-7H-quinolin-7-ide-3-carboxamide;uranium(2+) (PubChem CID 18685826) has the molecular formula C21H28N2O3U and a molecular weight of 594.50 g/mol. Its IUPAC name is carbanide;1,5,6,8-tetramethyl-N-(3-methyl-4-oxopentan-2-yl)-4-oxo-7H-quinolin-7-ide-3-carboxamide;uranium(2+).

Molecular Properties

Compound Namecarbanide;1,5,6,8-tetramethyl-N-(3-methyl-4-oxopentan-2-yl)-4-oxo-7H-quinolin-7-ide-3-carboxamide;uranium(2+)
PubChem CID18685826
Molecular FormulaC21H28N2O3U
Molecular Weight594.50 g/mol
Exact Mass594.26
IUPAC Namecarbanide;1,5,6,8-tetramethyl-N-(3-methyl-4-oxopentan-2-yl)-4-oxo-7H-quinolin-7-ide-3-carboxamide;uranium(2+)
SMILESCC(=O)C(C)C(C)NC(=O)c1cn(C)c2c(C)[c-]c(C)c(C)c2c1=O.[CH3-].[U+2]
InChIInChI=1S/C20H25N2O3.CH3.U/c1-10-8-11(2)18-17(12(10)3)19(24)16(9-22(18)7)20(25)21-14(5)13(4)15(6)23;;/h9,13-14H,1-7H3,(H,21,25);1H3;/q2*-1;+2
InChIKeyCXAQGVIBZWNGHV-UHFFFAOYSA-N
XLogP3.06
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;1,5,6,8-tetramethyl-N-(3-methyl-4-oxopentan-2-yl)-4-oxo-7H-quinolin-7-ide-3-carboxamide;uranium(2+)?
The IUPAC name of carbanide;1,5,6,8-tetramethyl-N-(3-methyl-4-oxopentan-2-yl)-4-oxo-7H-quinolin-7-ide-3-carboxamide;uranium(2+) (CID 18685826) is carbanide;1,5,6,8-tetramethyl-N-(3-methyl-4-oxopentan-2-yl)-4-oxo-7H-quinolin-7-ide-3-carboxamide;uranium(2+).
What is the SMILES notation for carbanide;1,5,6,8-tetramethyl-N-(3-methyl-4-oxopentan-2-yl)-4-oxo-7H-quinolin-7-ide-3-carboxamide;uranium(2+)?
The canonical SMILES for carbanide;1,5,6,8-tetramethyl-N-(3-methyl-4-oxopentan-2-yl)-4-oxo-7H-quinolin-7-ide-3-carboxamide;uranium(2+) is CC(=O)C(C)C(C)NC(=O)c1cn(C)c2c(C)[c-]c(C)c(C)c2c1=O.[CH3-].[U+2].
What is the InChIKey of carbanide;1,5,6,8-tetramethyl-N-(3-methyl-4-oxopentan-2-yl)-4-oxo-7H-quinolin-7-ide-3-carboxamide;uranium(2+)?
The InChIKey is CXAQGVIBZWNGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N2O3.CH3.U/c1-10-8-11(2)18-17(12(10)3)19(24)16(9-22(18)7)20(25)21-14(5)13(4)15(6)23;;/h9,13-14H,1-7H3,(H,21,25);1H3;/q2*-1;+2.
What are the key properties of carbanide;1,5,6,8-tetramethyl-N-(3-methyl-4-oxopentan-2-yl)-4-oxo-7H-quinolin-7-ide-3-carboxamide;uranium(2+)?
carbanide;1,5,6,8-tetramethyl-N-(3-methyl-4-oxopentan-2-yl)-4-oxo-7H-quinolin-7-ide-3-carboxamide;uranium(2+) has a molecular weight of 594.50 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1,5,6,8-tetramethyl-N-(3-methyl-4-oxopentan-2-yl)-4-oxo-7H-quinolin-7-ide-3-carboxamide;uranium(2+) is sourced from PubChem (CID 18685826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).