2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyquinoline-3-carboximidamide

C14H18N4O2 — CID 77034218

IUPAC2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyquinoline-3-carboximidamide
SMILESCCN(CCO)c1nc2ccccc2cc1C(N)=NO
InChIInChI=1S/C14H18N4O2/c1-2-18(7-8-19)14-11(13(15)17-20)9-10-5-3-4-6-12(10)16-14/h3-6,9,19-20H,2,7-8H2,1H3,(H2,15,17)
InChIKeyVKIPBSIFAJJLDU-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.15
Rot. Bonds5

About 2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyquinoline-3-carboximidamide

2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyquinoline-3-carboximidamide (PubChem CID 77034218) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyquinoline-3-carboximidamide.

Molecular Properties

Compound Name2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyquinoline-3-carboximidamide
PubChem CID77034218
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyquinoline-3-carboximidamide
SMILESCCN(CCO)c1nc2ccccc2cc1C(N)=NO
InChIInChI=1S/C14H18N4O2/c1-2-18(7-8-19)14-11(13(15)17-20)9-10-5-3-4-6-12(10)16-14/h3-6,9,19-20H,2,7-8H2,1H3,(H2,15,17)
InChIKeyVKIPBSIFAJJLDU-UHFFFAOYSA-N
XLogP1.15
TPSA94.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyquinoline-3-carboximidamide?
The IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyquinoline-3-carboximidamide (CID 77034218) is 2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyquinoline-3-carboximidamide.
What is the SMILES notation for 2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyquinoline-3-carboximidamide?
The canonical SMILES for 2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyquinoline-3-carboximidamide is CCN(CCO)c1nc2ccccc2cc1C(N)=NO.
What is the InChIKey of 2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyquinoline-3-carboximidamide?
The InChIKey is VKIPBSIFAJJLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-18(7-8-19)14-11(13(15)17-20)9-10-5-3-4-6-12(10)16-14/h3-6,9,19-20H,2,7-8H2,1H3,(H2,15,17).
What are the key properties of 2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyquinoline-3-carboximidamide?
2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyquinoline-3-carboximidamide has a molecular weight of 274.32 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyquinoline-3-carboximidamide is sourced from PubChem (CID 77034218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).