N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylquinoline-6-carboxamide

C15H18N4O2 — CID 76987444

IUPACN-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylquinoline-6-carboxamide
SMILESCC(CC(N)=NO)N(C)C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C15H18N4O2/c1-10(8-14(16)18-21)19(2)15(20)12-5-6-13-11(9-12)4-3-7-17-13/h3-7,9-10,21H,8H2,1-2H3,(H2,16,18)
InChIKeyZCYRQIYYVDICOV-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.83
Rot. Bonds4

About N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylquinoline-6-carboxamide

N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylquinoline-6-carboxamide (PubChem CID 76987444) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylquinoline-6-carboxamide
PubChem CID76987444
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylquinoline-6-carboxamide
SMILESCC(CC(N)=NO)N(C)C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C15H18N4O2/c1-10(8-14(16)18-21)19(2)15(20)12-5-6-13-11(9-12)4-3-7-17-13/h3-7,9-10,21H,8H2,1-2H3,(H2,16,18)
InChIKeyZCYRQIYYVDICOV-UHFFFAOYSA-N
XLogP1.83
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
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-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylquinoline-6-carboxamide
CID 63223594
N-(2-amino-2-hydroxyiminoethyl)-N-ethylquinoline-6-carboxamide
CID 76951107
N-(4-amino-4-hydroxyiminobutan-2-yl)-3-hydroxy-N-methylbenzamide
CID 76987839
N-(4-amino-4-hydroxyiminobutan-2-yl)-3-(dimethylamino)-N-methylbenzamide
CID 76987732
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylbenzamide
CID 76987704
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-1-benzofuran-2-carboxamide
CID 76987759
N-(1-amino-1-hydroxyiminobutan-2-yl)quinoline-6-carboxamide
CID 76975214
N'-hydroxyquinoline-6-carboximidamide
CID 59214181
N-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethylpyridine-3-carboxamide
CID 77072544
N-(2-bromoethyl)-N-methylquinoline-6-carboxamide
CID 80658342
2-[ethyl(quinoline-6-carbonyl)amino]acetic acid
CID 62849704
N'-hydroxy-3-[methyl(quinolin-6-ylmethyl)amino]propanimidamide
CID 43209669

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylquinoline-6-carboxamide?
The IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylquinoline-6-carboxamide (CID 76987444) is N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylquinoline-6-carboxamide.
What is the SMILES notation for N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylquinoline-6-carboxamide?
The canonical SMILES for N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylquinoline-6-carboxamide is CC(CC(N)=NO)N(C)C(=O)c1ccc2ncccc2c1.
What is the InChIKey of N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylquinoline-6-carboxamide?
The InChIKey is ZCYRQIYYVDICOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10(8-14(16)18-21)19(2)15(20)12-5-6-13-11(9-12)4-3-7-17-13/h3-7,9-10,21H,8H2,1-2H3,(H2,16,18).
What are the key properties of N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylquinoline-6-carboxamide?
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylquinoline-6-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylquinoline-6-carboxamide is sourced from PubChem (CID 76987444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).