3-[cyclopropyl(quinolin-8-ylmethyl)amino]-N'-hydroxypropanimidamide

C16H20N4O — CID 76911837

IUPAC3-[cyclopropyl(quinolin-8-ylmethyl)amino]-N'-hydroxypropanimidamide
SMILESNC(CCN(Cc1cccc2cccnc12)C1CC1)=NO
InChIInChI=1S/C16H20N4O/c17-15(19-21)8-10-20(14-6-7-14)11-13-4-1-3-12-5-2-9-18-16(12)13/h1-5,9,14,21H,6-8,10-11H2,(H2,17,19)
InChIKeyQFGZESFLINXBBA-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.34
Rot. Bonds6

About 3-[cyclopropyl(quinolin-8-ylmethyl)amino]-N'-hydroxypropanimidamide

3-[cyclopropyl(quinolin-8-ylmethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 76911837) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[cyclopropyl(quinolin-8-ylmethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl(quinolin-8-ylmethyl)amino]-N'-hydroxypropanimidamide
PubChem CID76911837
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-[cyclopropyl(quinolin-8-ylmethyl)amino]-N'-hydroxypropanimidamide
SMILESNC(CCN(Cc1cccc2cccnc12)C1CC1)=NO
InChIInChI=1S/C16H20N4O/c17-15(19-21)8-10-20(14-6-7-14)11-13-4-1-3-12-5-2-9-18-16(12)13/h1-5,9,14,21H,6-8,10-11H2,(H2,17,19)
InChIKeyQFGZESFLINXBBA-UHFFFAOYSA-N
XLogP2.34
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.34
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

2-[cyclopropyl(quinolin-8-ylmethyl)amino]ethanol
CID 60510570
2-[cyclopentyl(quinolin-8-ylmethyl)amino]ethanol
CID 60912446
3-[cyclobutyl(quinolin-8-ylmethyl)amino]propan-1-ol
CID 102848366
N'-hydroxy-2-quinolin-8-ylethanimidamide
CID 53412326
N-[(2-fluorophenyl)methyl]-N-(quinolin-8-ylmethyl)cyclopropanamine
CID 55503066
N'-hydroxy-3-(2-quinolin-8-ylethylamino)propanimidamide
CID 81426159
3-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]-N'-hydroxypropanimidamide
CID 76936916
N-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-8-carboxamide
CID 76951123
1-cyclopropyl-1-methyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 110030751
3-[(2-chloro-4-fluorophenyl)methyl-cyclopropylamino]-N'-hydroxypropanimidamide
CID 54997772
1-N,4-N-dimethyl-4-N-(quinolin-8-ylmethyl)cyclohexane-1,4-diamine
CID 79117135
N'-hydroxy-1-(quinolin-8-ylmethyl)piperidine-4-carboximidamide
CID 77038510

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(quinolin-8-ylmethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[cyclopropyl(quinolin-8-ylmethyl)amino]-N'-hydroxypropanimidamide (CID 76911837) is 3-[cyclopropyl(quinolin-8-ylmethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[cyclopropyl(quinolin-8-ylmethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[cyclopropyl(quinolin-8-ylmethyl)amino]-N'-hydroxypropanimidamide is NC(CCN(Cc1cccc2cccnc12)C1CC1)=NO.
What is the InChIKey of 3-[cyclopropyl(quinolin-8-ylmethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is QFGZESFLINXBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-15(19-21)8-10-20(14-6-7-14)11-13-4-1-3-12-5-2-9-18-16(12)13/h1-5,9,14,21H,6-8,10-11H2,(H2,17,19).
What are the key properties of 3-[cyclopropyl(quinolin-8-ylmethyl)amino]-N'-hydroxypropanimidamide?
3-[cyclopropyl(quinolin-8-ylmethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 284.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(quinolin-8-ylmethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76911837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).