3-[cyclopropyl(quinolin-2-yl)amino]-N'-hydroxypropanimidamide

C15H18N4O — CID 76911857

IUPAC3-[cyclopropyl(quinolin-2-yl)amino]-N'-hydroxypropanimidamide
SMILESNC(CCN(c1ccc2ccccc2n1)C1CC1)=NO
InChIInChI=1S/C15H18N4O/c16-14(18-20)9-10-19(12-6-7-12)15-8-5-11-3-1-2-4-13(11)17-15/h1-5,8,12,20H,6-7,9-10H2,(H2,16,18)
InChIKeyWEEUNBGMIXXUDZ-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.34
Rot. Bonds5

About 3-[cyclopropyl(quinolin-2-yl)amino]-N'-hydroxypropanimidamide

3-[cyclopropyl(quinolin-2-yl)amino]-N'-hydroxypropanimidamide (PubChem CID 76911857) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-[cyclopropyl(quinolin-2-yl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl(quinolin-2-yl)amino]-N'-hydroxypropanimidamide
PubChem CID76911857
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name3-[cyclopropyl(quinolin-2-yl)amino]-N'-hydroxypropanimidamide
SMILESNC(CCN(c1ccc2ccccc2n1)C1CC1)=NO
InChIInChI=1S/C15H18N4O/c16-14(18-20)9-10-19(12-6-7-12)15-8-5-11-3-1-2-4-13(11)17-15/h1-5,8,12,20H,6-7,9-10H2,(H2,16,18)
InChIKeyWEEUNBGMIXXUDZ-UHFFFAOYSA-N
XLogP2.34
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
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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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(quinolin-2-yl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[cyclopropyl(quinolin-2-yl)amino]-N'-hydroxypropanimidamide (CID 76911857) is 3-[cyclopropyl(quinolin-2-yl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[cyclopropyl(quinolin-2-yl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[cyclopropyl(quinolin-2-yl)amino]-N'-hydroxypropanimidamide is NC(CCN(c1ccc2ccccc2n1)C1CC1)=NO.
What is the InChIKey of 3-[cyclopropyl(quinolin-2-yl)amino]-N'-hydroxypropanimidamide?
The InChIKey is WEEUNBGMIXXUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c16-14(18-20)9-10-19(12-6-7-12)15-8-5-11-3-1-2-4-13(11)17-15/h1-5,8,12,20H,6-7,9-10H2,(H2,16,18).
What are the key properties of 3-[cyclopropyl(quinolin-2-yl)amino]-N'-hydroxypropanimidamide?
3-[cyclopropyl(quinolin-2-yl)amino]-N'-hydroxypropanimidamide has a molecular weight of 270.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(quinolin-2-yl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76911857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).