N'-hydroxy-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide

C17H19N3O — CID 43188172

IUPACN'-hydroxy-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide
SMILESCC1CCc2ccccc2N1c1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C17H19N3O/c1-12-6-7-13-4-2-3-5-16(13)20(12)15-10-8-14(9-11-15)17(18)19-21/h2-5,8-12,21H,6-7H2,1H3,(H2,18,19)
InChIKeyVFPWKTVIIPBURJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.25
Rot. Bonds2

About N'-hydroxy-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide

N'-hydroxy-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide (PubChem CID 43188172) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N'-hydroxy-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide
PubChem CID43188172
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN'-hydroxy-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide
SMILESCC1CCc2ccccc2N1c1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C17H19N3O/c1-12-6-7-13-4-2-3-5-16(13)20(12)15-10-8-14(9-11-15)17(18)19-21/h2-5,8-12,21H,6-7H2,1H3,(H2,18,19)
InChIKeyVFPWKTVIIPBURJ-UHFFFAOYSA-N
XLogP3.25
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide (CID 43188172) is N'-hydroxy-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide is CC1CCc2ccccc2N1c1ccc(/C(N)=N/O)cc1.
What is the InChIKey of N'-hydroxy-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide?
The InChIKey is VFPWKTVIIPBURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-6-7-13-4-2-3-5-16(13)20(12)15-10-8-14(9-11-15)17(18)19-21/h2-5,8-12,21H,6-7H2,1H3,(H2,18,19).
What are the key properties of N'-hydroxy-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide?
N'-hydroxy-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide has a molecular weight of 281.36 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 43188172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).