N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylquinoline-5-carboxamide

C15H18N4O2 — CID 76951085

IUPACN-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylquinoline-5-carboxamide
SMILESCC(CN(C)C(=O)c1cccc2ncccc12)C(N)=NO
InChIInChI=1S/C15H18N4O2/c1-10(14(16)18-21)9-19(2)15(20)12-5-3-7-13-11(12)6-4-8-17-13/h3-8,10,21H,9H2,1-2H3,(H2,16,18)
InChIKeyLVSZFNVJOJBLTN-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.69
Rot. Bonds4

About N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylquinoline-5-carboxamide

N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylquinoline-5-carboxamide (PubChem CID 76951085) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylquinoline-5-carboxamide
PubChem CID76951085
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylquinoline-5-carboxamide
SMILESCC(CN(C)C(=O)c1cccc2ncccc12)C(N)=NO
InChIInChI=1S/C15H18N4O2/c1-10(14(16)18-21)9-19(2)15(20)12-5-3-7-13-11(12)6-4-8-17-13/h3-8,10,21H,9H2,1-2H3,(H2,16,18)
InChIKeyLVSZFNVJOJBLTN-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
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'}

Analyze N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylquinoline-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-5-carboxamide
CID 76951122
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3-dimethylpyridine-2-carboxamide
CID 55059953
N-(2-aminoethyl)-N-propan-2-ylquinoline-5-carboxamide
CID 55218818
N-(2-bromoethyl)-N-propan-2-ylquinoline-5-carboxamide
CID 80666191
2-methyl-3-[methyl-[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 120524125
N-[(2Z)-2-amino-2-hydroxyiminoethyl]quinoline-5-carboxamide
CID 62875902
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-bromo-N-methylfuran-3-carboxamide
CID 106855764
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]quinoxaline-5-carboxamide
CID 104615583
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-bromo-N,5-dimethylbenzamide
CID 81118021
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-bromo-N-methylbenzamide
CID 54991938
6-amino-2-methyl-1-quinolin-5-ylheptan-1-one
CID 116574294
1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-benzyl-1-methylurea
CID 107654469

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylquinoline-5-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylquinoline-5-carboxamide (CID 76951085) is N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylquinoline-5-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylquinoline-5-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylquinoline-5-carboxamide is CC(CN(C)C(=O)c1cccc2ncccc12)C(N)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylquinoline-5-carboxamide?
The InChIKey is LVSZFNVJOJBLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10(14(16)18-21)9-19(2)15(20)12-5-3-7-13-11(12)6-4-8-17-13/h3-8,10,21H,9H2,1-2H3,(H2,16,18).
What are the key properties of N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylquinoline-5-carboxamide?
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylquinoline-5-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylquinoline-5-carboxamide is sourced from PubChem (CID 76951085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).