2-(2-hydroxyethoxy)quinoline-4-carboximidamide

C12H13N3O2 — CID 63884357

IUPAC2-(2-hydroxyethoxy)quinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(OCCO)nc2ccccc12
InChIInChI=1S/C12H13N3O2/c13-12(14)9-7-11(17-6-5-16)15-10-4-2-1-3-8(9)10/h1-4,7,16H,5-6H2,(H3,13,14)
InChIKeyFCOCAJPTDTYPRS-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.89
Rot. Bonds4

About 2-(2-hydroxyethoxy)quinoline-4-carboximidamide

2-(2-hydroxyethoxy)quinoline-4-carboximidamide (PubChem CID 63884357) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)quinoline-4-carboximidamide.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)quinoline-4-carboximidamide
PubChem CID63884357
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-(2-hydroxyethoxy)quinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(OCCO)nc2ccccc12
InChIInChI=1S/C12H13N3O2/c13-12(14)9-7-11(17-6-5-16)15-10-4-2-1-3-8(9)10/h1-4,7,16H,5-6H2,(H3,13,14)
InChIKeyFCOCAJPTDTYPRS-UHFFFAOYSA-N
XLogP0.89
TPSA92.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-propoxyquinoline-4-carboximidamide
CID 63885122
2-[2-(2-methoxyethoxy)ethoxy]quinoline-4-carboximidamide
CID 104562386
2-(2-propoxyethoxy)quinoline-4-carboximidamide
CID 63883975
2-(2,2,2-trifluoroethoxy)quinoline-4-carboximidamide
CID 63885310
2-[(2-methylpropan-2-yl)oxy]quinoline-4-carboximidamide
CID 63884548
2-(4-bromophenoxy)quinoline-4-carboximidamide
CID 63884544
2-(3-hydroxypropoxy)quinoline-4-carboxylic acid
CID 43332241
2-(3-methylphenoxy)quinoline-4-carboximidamide
CID 63884736
2-(oxan-4-yloxy)quinoline-4-carboximidamide
CID 63885693
2-(4,4,4-trifluorobutoxy)quinoline-4-carbothioamide
CID 82783382
2-[ethyl(2-methoxyethyl)amino]quinoline-4-carboximidamide
CID 63883578
2-[2-(dimethylamino)ethoxy]quinoline-4-carboxylic acid
CID 61104780

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)quinoline-4-carboximidamide?
The IUPAC name of 2-(2-hydroxyethoxy)quinoline-4-carboximidamide (CID 63884357) is 2-(2-hydroxyethoxy)quinoline-4-carboximidamide.
What is the SMILES notation for 2-(2-hydroxyethoxy)quinoline-4-carboximidamide?
The canonical SMILES for 2-(2-hydroxyethoxy)quinoline-4-carboximidamide is [H]/N=C(\N)c1cc(OCCO)nc2ccccc12.
What is the InChIKey of 2-(2-hydroxyethoxy)quinoline-4-carboximidamide?
The InChIKey is FCOCAJPTDTYPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-12(14)9-7-11(17-6-5-16)15-10-4-2-1-3-8(9)10/h1-4,7,16H,5-6H2,(H3,13,14).
What are the key properties of 2-(2-hydroxyethoxy)quinoline-4-carboximidamide?
2-(2-hydroxyethoxy)quinoline-4-carboximidamide has a molecular weight of 231.25 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)quinoline-4-carboximidamide is sourced from PubChem (CID 63884357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).