2-(2-cyclopropylethoxy)-N'-hydroxyquinoline-3-carboximidamide

C15H17N3O2 — CID 106201905

IUPAC2-(2-cyclopropylethoxy)-N'-hydroxyquinoline-3-carboximidamide
SMILESN/C(=N/O)c1cc2ccccc2nc1OCCC1CC1
InChIInChI=1S/C15H17N3O2/c16-14(18-19)12-9-11-3-1-2-4-13(11)17-15(12)20-8-7-10-5-6-10/h1-4,9-10,19H,5-8H2,(H2,16,18)
InChIKeyFJDVULAUABKUIL-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.51
Rot. Bonds5

About 2-(2-cyclopropylethoxy)-N'-hydroxyquinoline-3-carboximidamide

2-(2-cyclopropylethoxy)-N'-hydroxyquinoline-3-carboximidamide (PubChem CID 106201905) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(2-cyclopropylethoxy)-N'-hydroxyquinoline-3-carboximidamide.

Molecular Properties

Compound Name2-(2-cyclopropylethoxy)-N'-hydroxyquinoline-3-carboximidamide
PubChem CID106201905
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(2-cyclopropylethoxy)-N'-hydroxyquinoline-3-carboximidamide
SMILESN/C(=N/O)c1cc2ccccc2nc1OCCC1CC1
InChIInChI=1S/C15H17N3O2/c16-14(18-19)12-9-11-3-1-2-4-13(11)17-15(12)20-8-7-10-5-6-10/h1-4,9-10,19H,5-8H2,(H2,16,18)
InChIKeyFJDVULAUABKUIL-UHFFFAOYSA-N
XLogP2.51
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.51
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

2-(2-cyclopropylethoxy)quinoline-3-carboximidamide
CID 106202032
N'-hydroxy-2-(2,2,2-trifluoroethoxy)quinoline-3-carboximidamide
CID 77025099
2-cyclobutyloxy-N'-hydroxyquinoline-3-carboximidamide
CID 77034279
[2-(2-cyclopropylethoxy)quinolin-3-yl]methanamine
CID 106199465
N'-hydroxy-2-[(2-methylpropan-2-yl)oxy]quinoline-3-carboximidamide
CID 77034292
2-(cyclopropylmethoxy)quinoline-3-carboxamide
CID 154066265
2-(2-cyclobutylethoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 114157502
2-(cyclopentylmethylsulfanyl)-N'-hydroxyquinoline-3-carboximidamide
CID 77034247
3-chloro-2-(2-cyclobutylethoxy)-N'-hydroxypyridine-4-carboximidamide
CID 137011760
2-(2-cyclobutylethoxy)quinoline-3-carbonitrile
CID 106201549
2-(4,4,4-trifluorobutoxy)quinoline-3-carbothioamide
CID 82782352
N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide
CID 115965334

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethoxy)-N'-hydroxyquinoline-3-carboximidamide?
The IUPAC name of 2-(2-cyclopropylethoxy)-N'-hydroxyquinoline-3-carboximidamide (CID 106201905) is 2-(2-cyclopropylethoxy)-N'-hydroxyquinoline-3-carboximidamide.
What is the SMILES notation for 2-(2-cyclopropylethoxy)-N'-hydroxyquinoline-3-carboximidamide?
The canonical SMILES for 2-(2-cyclopropylethoxy)-N'-hydroxyquinoline-3-carboximidamide is N/C(=N/O)c1cc2ccccc2nc1OCCC1CC1.
What is the InChIKey of 2-(2-cyclopropylethoxy)-N'-hydroxyquinoline-3-carboximidamide?
The InChIKey is FJDVULAUABKUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-14(18-19)12-9-11-3-1-2-4-13(11)17-15(12)20-8-7-10-5-6-10/h1-4,9-10,19H,5-8H2,(H2,16,18).
What are the key properties of 2-(2-cyclopropylethoxy)-N'-hydroxyquinoline-3-carboximidamide?
2-(2-cyclopropylethoxy)-N'-hydroxyquinoline-3-carboximidamide has a molecular weight of 271.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethoxy)-N'-hydroxyquinoline-3-carboximidamide is sourced from PubChem (CID 106201905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).