N'-hydroxy-3-[(2-methylquinolin-4-yl)-propan-2-ylamino]propanimidamide

C16H22N4O — CID 76911452

IUPACN'-hydroxy-3-[(2-methylquinolin-4-yl)-propan-2-ylamino]propanimidamide
SMILESCc1cc(N(CCC(N)=NO)C(C)C)c2ccccc2n1
InChIInChI=1S/C16H22N4O/c1-11(2)20(9-8-16(17)19-21)15-10-12(3)18-14-7-5-4-6-13(14)15/h4-7,10-11,21H,8-9H2,1-3H3,(H2,17,19)
InChIKeyGFRARODVRMWVBY-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.89
Rot. Bonds5

About N'-hydroxy-3-[(2-methylquinolin-4-yl)-propan-2-ylamino]propanimidamide

N'-hydroxy-3-[(2-methylquinolin-4-yl)-propan-2-ylamino]propanimidamide (PubChem CID 76911452) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N'-hydroxy-3-[(2-methylquinolin-4-yl)-propan-2-ylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(2-methylquinolin-4-yl)-propan-2-ylamino]propanimidamide
PubChem CID76911452
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN'-hydroxy-3-[(2-methylquinolin-4-yl)-propan-2-ylamino]propanimidamide
SMILESCc1cc(N(CCC(N)=NO)C(C)C)c2ccccc2n1
InChIInChI=1S/C16H22N4O/c1-11(2)20(9-8-16(17)19-21)15-10-12(3)18-14-7-5-4-6-13(14)15/h4-7,10-11,21H,8-9H2,1-3H3,(H2,17,19)
InChIKeyGFRARODVRMWVBY-UHFFFAOYSA-N
XLogP2.89
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.89
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

1-[methyl-(2-methylquinolin-4-yl)amino]propan-2-ol
CID 55060878
[4-[propan-2-yl(propyl)amino]quinolin-2-yl]methanol
CID 63376398
2-[methyl-(2-methylquinolin-4-yl)amino]ethanol
CID 60716400
3-[cinnolin-4-yl(ethyl)amino]-N'-hydroxypropanimidamide
CID 77002245
3-[(5-bromoisoquinolin-1-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 106537048
[4-[pentyl(propan-2-yl)amino]quinolin-2-yl]methanol
CID 63445535
4-[2-cyanoethyl(propan-2-yl)amino]quinoline-2-carboxylic acid
CID 63377065
N-(2-chloroethyl)-N-ethyl-2-methylquinolin-4-amine
CID 55184235
N'-hydroxy-3-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide
CID 43517237
N-(3-aminopropyl)-2-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 43319257
N'-hydroxy-3-[methyl(quinolin-2-ylmethyl)amino]propanimidamide
CID 43209629
N'-hydroxy-3-[3-phenylpropyl(propan-2-yl)amino]propanimidamide
CID 54998197

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(2-methylquinolin-4-yl)-propan-2-ylamino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[(2-methylquinolin-4-yl)-propan-2-ylamino]propanimidamide (CID 76911452) is N'-hydroxy-3-[(2-methylquinolin-4-yl)-propan-2-ylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(2-methylquinolin-4-yl)-propan-2-ylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[(2-methylquinolin-4-yl)-propan-2-ylamino]propanimidamide is Cc1cc(N(CCC(N)=NO)C(C)C)c2ccccc2n1.
What is the InChIKey of N'-hydroxy-3-[(2-methylquinolin-4-yl)-propan-2-ylamino]propanimidamide?
The InChIKey is GFRARODVRMWVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11(2)20(9-8-16(17)19-21)15-10-12(3)18-14-7-5-4-6-13(14)15/h4-7,10-11,21H,8-9H2,1-3H3,(H2,17,19).
What are the key properties of N'-hydroxy-3-[(2-methylquinolin-4-yl)-propan-2-ylamino]propanimidamide?
N'-hydroxy-3-[(2-methylquinolin-4-yl)-propan-2-ylamino]propanimidamide has a molecular weight of 286.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(2-methylquinolin-4-yl)-propan-2-ylamino]propanimidamide is sourced from PubChem (CID 76911452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).