N-(1-amino-1-hydroxyiminopentan-2-yl)quinoline-6-carboxamide

C15H18N4O2 — CID 76975230

IUPACN-(1-amino-1-hydroxyiminopentan-2-yl)quinoline-6-carboxamide
SMILESCCCC(NC(=O)c1ccc2ncccc2c1)C(N)=NO
InChIInChI=1S/C15H18N4O2/c1-2-4-13(14(16)19-21)18-15(20)11-6-7-12-10(9-11)5-3-8-17-12/h3,5-9,13,21H,2,4H2,1H3,(H2,16,19)(H,18,20)
InChIKeyLECRVCVVRLLXBJ-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.88
Rot. Bonds5

About N-(1-amino-1-hydroxyiminopentan-2-yl)quinoline-6-carboxamide

N-(1-amino-1-hydroxyiminopentan-2-yl)quinoline-6-carboxamide (PubChem CID 76975230) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopentan-2-yl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopentan-2-yl)quinoline-6-carboxamide
PubChem CID76975230
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-(1-amino-1-hydroxyiminopentan-2-yl)quinoline-6-carboxamide
SMILESCCCC(NC(=O)c1ccc2ncccc2c1)C(N)=NO
InChIInChI=1S/C15H18N4O2/c1-2-4-13(14(16)19-21)18-15(20)11-6-7-12-10(9-11)5-3-8-17-12/h3,5-9,13,21H,2,4H2,1H3,(H2,16,19)(H,18,20)
InChIKeyLECRVCVVRLLXBJ-UHFFFAOYSA-N
XLogP1.88
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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-(1-amino-1-hydroxyiminobutan-2-yl)quinoline-6-carboxamide
CID 76975214
2-(quinoline-6-carbonylamino)pentanoic acid
CID 62849349
2-(quinoline-6-carbonylamino)butanoic acid
CID 62848486
(2S)-4-hydroxy-2-(quinoline-6-carbonylamino)butanoic acid
CID 107821934
(2S)-2-(quinoline-6-carbonylamino)butanediamide
CID 70062244
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]pyridazine-4-carboxamide
CID 113439447
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-3,5-dihydroxybenzamide
CID 107705570
methyl 4-methyl-2-(quinoline-6-carbonylamino)pentanoate
CID 68954177
N-(1-amino-1-hydroxyiminopentan-2-yl)-3-propan-2-yloxybenzamide
CID 76977889
N-(1-aminopropan-2-yl)quinoline-6-carboxamide
CID 63730919
2-(quinoxaline-6-carbonylamino)pentanoic acid
CID 62849348
N-(2-amino-2-hydroxyiminoethyl)-N-ethylquinoline-6-carboxamide
CID 76951107

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopentan-2-yl)quinoline-6-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopentan-2-yl)quinoline-6-carboxamide (CID 76975230) is N-(1-amino-1-hydroxyiminopentan-2-yl)quinoline-6-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopentan-2-yl)quinoline-6-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopentan-2-yl)quinoline-6-carboxamide is CCCC(NC(=O)c1ccc2ncccc2c1)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyiminopentan-2-yl)quinoline-6-carboxamide?
The InChIKey is LECRVCVVRLLXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-2-4-13(14(16)19-21)18-15(20)11-6-7-12-10(9-11)5-3-8-17-12/h3,5-9,13,21H,2,4H2,1H3,(H2,16,19)(H,18,20).
What are the key properties of N-(1-amino-1-hydroxyiminopentan-2-yl)quinoline-6-carboxamide?
N-(1-amino-1-hydroxyiminopentan-2-yl)quinoline-6-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopentan-2-yl)quinoline-6-carboxamide is sourced from PubChem (CID 76975230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).