2-(2-cyclopropylethoxy)quinoline-3-carboximidamide

C15H17N3O — CID 106202032

IUPAC2-(2-cyclopropylethoxy)quinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2ccccc2nc1OCCC1CC1
InChIInChI=1S/C15H17N3O/c16-14(17)12-9-11-3-1-2-4-13(11)18-15(12)19-8-7-10-5-6-10/h1-4,9-10H,5-8H2,(H3,16,17)
InChIKeyZFQPXLNPXMCSKV-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.70
Rot. Bonds5

About 2-(2-cyclopropylethoxy)quinoline-3-carboximidamide

2-(2-cyclopropylethoxy)quinoline-3-carboximidamide (PubChem CID 106202032) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(2-cyclopropylethoxy)quinoline-3-carboximidamide.

Molecular Properties

Compound Name2-(2-cyclopropylethoxy)quinoline-3-carboximidamide
PubChem CID106202032
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-(2-cyclopropylethoxy)quinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2ccccc2nc1OCCC1CC1
InChIInChI=1S/C15H17N3O/c16-14(17)12-9-11-3-1-2-4-13(11)18-15(12)19-8-7-10-5-6-10/h1-4,9-10H,5-8H2,(H3,16,17)
InChIKeyZFQPXLNPXMCSKV-UHFFFAOYSA-N
XLogP2.70
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.70
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'}

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Related Compounds

2-(2-cyclopropylethoxy)-N'-hydroxyquinoline-3-carboximidamide
CID 106201905
2-(2,2-difluoroethoxy)quinoline-3-carboximidamide
CID 82005292
[2-(2-cyclopropylethoxy)quinolin-3-yl]methanamine
CID 106199465
2-(cyclopropylmethoxy)quinoline-3-carboxamide
CID 154066265
3-(2-cyclobutylethoxy)pyridazine-4-carboximidamide
CID 106202085
4-(2-cyclopropylethoxy)-2-methylbenzenecarboximidamide
CID 106202035
2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide
CID 64597728
2-(2-cyclobutylethoxy)quinoline-3-carbonitrile
CID 106201549
3-(2-cyclopropylethoxy)pyridine-2-carboximidamide
CID 106202059
2-(4,4,4-trifluorobutoxy)quinoline-3-carbothioamide
CID 82782352
2-(2-cyclobutylethoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 106202063
2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]quinoline-3-carbothioamide
CID 115942067

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethoxy)quinoline-3-carboximidamide?
The IUPAC name of 2-(2-cyclopropylethoxy)quinoline-3-carboximidamide (CID 106202032) is 2-(2-cyclopropylethoxy)quinoline-3-carboximidamide.
What is the SMILES notation for 2-(2-cyclopropylethoxy)quinoline-3-carboximidamide?
The canonical SMILES for 2-(2-cyclopropylethoxy)quinoline-3-carboximidamide is [H]/N=C(\N)c1cc2ccccc2nc1OCCC1CC1.
What is the InChIKey of 2-(2-cyclopropylethoxy)quinoline-3-carboximidamide?
The InChIKey is ZFQPXLNPXMCSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-14(17)12-9-11-3-1-2-4-13(11)18-15(12)19-8-7-10-5-6-10/h1-4,9-10H,5-8H2,(H3,16,17).
What are the key properties of 2-(2-cyclopropylethoxy)quinoline-3-carboximidamide?
2-(2-cyclopropylethoxy)quinoline-3-carboximidamide has a molecular weight of 255.32 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethoxy)quinoline-3-carboximidamide is sourced from PubChem (CID 106202032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).