2-[ethyl(quinolin-2-ylmethyl)amino]-N'-hydroxyethanimidamide

C14H18N4O — CID 76928803

IUPAC2-[ethyl(quinolin-2-ylmethyl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)Cc1ccc2ccccc2n1
InChIInChI=1S/C14H18N4O/c1-2-18(10-14(15)17-19)9-12-8-7-11-5-3-4-6-13(11)16-12/h3-8,19H,2,9-10H2,1H3,(H2,15,17)
InChIKeyCYFXRCOKYBENPH-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.80
Rot. Bonds5

About 2-[ethyl(quinolin-2-ylmethyl)amino]-N'-hydroxyethanimidamide

2-[ethyl(quinolin-2-ylmethyl)amino]-N'-hydroxyethanimidamide (PubChem CID 76928803) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[ethyl(quinolin-2-ylmethyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[ethyl(quinolin-2-ylmethyl)amino]-N'-hydroxyethanimidamide
PubChem CID76928803
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[ethyl(quinolin-2-ylmethyl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)Cc1ccc2ccccc2n1
InChIInChI=1S/C14H18N4O/c1-2-18(10-14(15)17-19)9-12-8-7-11-5-3-4-6-13(11)16-12/h3-8,19H,2,9-10H2,1H3,(H2,15,17)
InChIKeyCYFXRCOKYBENPH-UHFFFAOYSA-N
XLogP1.80
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.80
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

N,N'-diethyl-N,N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine
CID 101381014
N'-hydroxy-3-[methyl(quinolin-2-ylmethyl)amino]propanimidamide
CID 43209629
N-[[3,5-bis[[bis(quinolin-2-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methyl]-1-quinolin-2-yl-N-(quinolin-2-ylmethyl)methanamine
CID 139172571
1,3-bis[bis(quinolin-2-ylmethyl)amino]propan-2-ol
CID 86080053
1-phenyl-N,N-bis(quinolin-2-ylmethyl)methanamine
CID 86023570
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(quinolin-2-ylmethyl)amino]ethyl]amino]acetic acid
CID 134338360
N-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 138692452
S-[methyl(quinolin-2-ylmethyl)amino]thiohydroxylamine
CID 143852851
N-[(1-methylpyrrolidin-3-yl)methyl]-N-(quinolin-2-ylmethyl)ethanamine
CID 50978297
N-propan-2-yl-N-(quinolin-2-ylmethyl)propan-2-amine
CID 20687195
CID 89210421
CID 89210421
3-[2-methoxyethyl(quinolin-2-ylmethyl)amino]propanimidamide
CID 63286083

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(quinolin-2-ylmethyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[ethyl(quinolin-2-ylmethyl)amino]-N'-hydroxyethanimidamide (CID 76928803) is 2-[ethyl(quinolin-2-ylmethyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[ethyl(quinolin-2-ylmethyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[ethyl(quinolin-2-ylmethyl)amino]-N'-hydroxyethanimidamide is CCN(CC(N)=NO)Cc1ccc2ccccc2n1.
What is the InChIKey of 2-[ethyl(quinolin-2-ylmethyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is CYFXRCOKYBENPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-18(10-14(15)17-19)9-12-8-7-11-5-3-4-6-13(11)16-12/h3-8,19H,2,9-10H2,1H3,(H2,15,17).
What are the key properties of 2-[ethyl(quinolin-2-ylmethyl)amino]-N'-hydroxyethanimidamide?
2-[ethyl(quinolin-2-ylmethyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 258.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(quinolin-2-ylmethyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 76928803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).