2-propoxyquinoline-4-carboximidamide

C13H15N3O — CID 63885122

IUPAC2-propoxyquinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(OCCC)nc2ccccc12
InChIInChI=1S/C13H15N3O/c1-2-7-17-12-8-10(13(14)15)9-5-3-4-6-11(9)16-12/h3-6,8H,2,7H2,1H3,(H3,14,15)
InChIKeyULGDTFLKJRPEDW-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.31
Rot. Bonds4

About 2-propoxyquinoline-4-carboximidamide

2-propoxyquinoline-4-carboximidamide (PubChem CID 63885122) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-propoxyquinoline-4-carboximidamide.

Molecular Properties

Compound Name2-propoxyquinoline-4-carboximidamide
PubChem CID63885122
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-propoxyquinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(OCCC)nc2ccccc12
InChIInChI=1S/C13H15N3O/c1-2-7-17-12-8-10(13(14)15)9-5-3-4-6-11(9)16-12/h3-6,8H,2,7H2,1H3,(H3,14,15)
InChIKeyULGDTFLKJRPEDW-UHFFFAOYSA-N
XLogP2.31
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.31
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-propoxyethoxy)quinoline-4-carboximidamide
CID 63883975
2-(2-hydroxyethoxy)quinoline-4-carboximidamide
CID 63884357
2-[2-(2-methoxyethoxy)ethoxy]quinoline-4-carboximidamide
CID 104562386
2-(2,2,2-trifluoroethoxy)quinoline-4-carboximidamide
CID 63885310
2-[(2-methylpropan-2-yl)oxy]quinoline-4-carboximidamide
CID 63884548
2-(3-methylphenoxy)quinoline-4-carboximidamide
CID 63884736
2-(4-bromophenoxy)quinoline-4-carboximidamide
CID 63884544
2-[ethyl(2-methoxyethyl)amino]quinoline-4-carboximidamide
CID 63883578
2-(oxan-4-yloxy)quinoline-4-carboximidamide
CID 63885693
2-pentoxyquinoline-4-carbonyl chloride
CID 10423651
2-(4,4,4-trifluorobutoxy)quinoline-4-carbothioamide
CID 82783382
2-(3-hydroxypropoxy)quinoline-4-carboxylic acid
CID 43332241

Frequently Asked Questions

What is the IUPAC name of 2-propoxyquinoline-4-carboximidamide?
The IUPAC name of 2-propoxyquinoline-4-carboximidamide (CID 63885122) is 2-propoxyquinoline-4-carboximidamide.
What is the SMILES notation for 2-propoxyquinoline-4-carboximidamide?
The canonical SMILES for 2-propoxyquinoline-4-carboximidamide is [H]/N=C(\N)c1cc(OCCC)nc2ccccc12.
What is the InChIKey of 2-propoxyquinoline-4-carboximidamide?
The InChIKey is ULGDTFLKJRPEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-7-17-12-8-10(13(14)15)9-5-3-4-6-11(9)16-12/h3-6,8H,2,7H2,1H3,(H3,14,15).
What are the key properties of 2-propoxyquinoline-4-carboximidamide?
2-propoxyquinoline-4-carboximidamide has a molecular weight of 229.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyquinoline-4-carboximidamide is sourced from PubChem (CID 63885122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).