N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)quinoline-8-carboxamide

C15H18N4O2 — CID 76975271

IUPACN-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)quinoline-8-carboxamide
SMILESCCC(C)(NC(=O)c1cccc2cccnc12)C(N)=NO
InChIInChI=1S/C15H18N4O2/c1-3-15(2,14(16)19-21)18-13(20)11-8-4-6-10-7-5-9-17-12(10)11/h4-9,21H,3H2,1-2H3,(H2,16,19)(H,18,20)
InChIKeyCNAHVQJJADHLHS-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.88
Rot. Bonds4

About N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)quinoline-8-carboxamide

N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)quinoline-8-carboxamide (PubChem CID 76975271) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)quinoline-8-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)quinoline-8-carboxamide
PubChem CID76975271
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)quinoline-8-carboxamide
SMILESCCC(C)(NC(=O)c1cccc2cccnc12)C(N)=NO
InChIInChI=1S/C15H18N4O2/c1-3-15(2,14(16)19-21)18-13(20)11-8-4-6-10-7-5-9-17-12(10)11/h4-9,21H,3H2,1-2H3,(H2,16,19)(H,18,20)
InChIKeyCNAHVQJJADHLHS-UHFFFAOYSA-N
XLogP1.88
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanobutan-2-yl)quinoline-8-carboxamide
CID 62849552
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-3-methylpyridine-2-carboxamide
CID 76940182
N-(1-amino-3-methylpentan-3-yl)quinoline-8-carboxamide
CID 106164386
N-(3-cyanopentan-3-yl)quinoline-8-carboxamide
CID 62849554
N-(2-amino-2-ethylbutyl)quinoline-8-carboxamide;dihydrochloride
CID 119641919
N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-2-chlorofuran-3-carboxamide
CID 106689285
N-(2-hydroxy-2-methylpropyl)quinoline-8-carboxamide
CID 65109650
2-methyl-2-[(2-methylquinoline-8-carbonyl)amino]butanoic acid
CID 120518528
N-[2-ethyl-2-(hydroxymethyl)butyl]quinoline-8-carboxamide
CID 103843875
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671954
2-(aminomethyl)-2-ethyl-1-quinolin-8-ylbutan-1-one
CID 116603879
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-1-methyltriazole-4-carboxamide
CID 112735696

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)quinoline-8-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)quinoline-8-carboxamide (CID 76975271) is N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)quinoline-8-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)quinoline-8-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)quinoline-8-carboxamide is CCC(C)(NC(=O)c1cccc2cccnc12)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)quinoline-8-carboxamide?
The InChIKey is CNAHVQJJADHLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-15(2,14(16)19-21)18-13(20)11-8-4-6-10-7-5-9-17-12(10)11/h4-9,21H,3H2,1-2H3,(H2,16,19)(H,18,20).
What are the key properties of N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)quinoline-8-carboxamide?
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)quinoline-8-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)quinoline-8-carboxamide is sourced from PubChem (CID 76975271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).