N'-hydroxy-3-(2-quinolin-8-ylethylamino)propanimidamide

C14H18N4O — CID 81426159

IUPACN'-hydroxy-3-(2-quinolin-8-ylethylamino)propanimidamide
SMILESN/C(CCNCCc1cccc2cccnc12)=N/O
InChIInChI=1S/C14H18N4O/c15-13(18-19)7-10-16-9-6-12-4-1-3-11-5-2-8-17-14(11)12/h1-5,8,16,19H,6-7,9-10H2,(H2,15,18)
InChIKeyGHNRRHRGESHCNJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.50
Rot. Bonds6

About N'-hydroxy-3-(2-quinolin-8-ylethylamino)propanimidamide

N'-hydroxy-3-(2-quinolin-8-ylethylamino)propanimidamide (PubChem CID 81426159) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N'-hydroxy-3-(2-quinolin-8-ylethylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(2-quinolin-8-ylethylamino)propanimidamide
PubChem CID81426159
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN'-hydroxy-3-(2-quinolin-8-ylethylamino)propanimidamide
SMILESN/C(CCNCCc1cccc2cccnc12)=N/O
InChIInChI=1S/C14H18N4O/c15-13(18-19)7-10-16-9-6-12-4-1-3-11-5-2-8-17-14(11)12/h1-5,8,16,19H,6-7,9-10H2,(H2,15,18)
InChIKeyGHNRRHRGESHCNJ-UHFFFAOYSA-N
XLogP1.50
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-hydroxy-2-quinolin-8-ylethanimidamide
CID 53412326
2-[(2-quinolin-8-ylethylamino)methyl]phenol
CID 78916472
2-methyl-1-(2-quinolin-8-ylethyl)guanidine
CID 78989907
1-(2-quinolin-8-ylethylamino)propan-2-ol
CID 81428765
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
2-quinolin-8-yl-N-(2-thiophen-2-ylethyl)ethanamine
CID 81428422
3-[cyclopropyl(quinolin-8-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 76911837
3-ethylsulfonyl-N-(2-quinolin-8-ylethyl)propan-1-amine
CID 81426941
N-[2-(2-methylpropoxy)ethyl]-2-quinolin-8-ylethanamine
CID 106452343
1-amino-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
CID 116510983
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595
N-[(3-methyloxetan-3-yl)methyl]-2-quinolin-8-ylethanamine
CID 81428081

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(2-quinolin-8-ylethylamino)propanimidamide?
The IUPAC name of N'-hydroxy-3-(2-quinolin-8-ylethylamino)propanimidamide (CID 81426159) is N'-hydroxy-3-(2-quinolin-8-ylethylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(2-quinolin-8-ylethylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(2-quinolin-8-ylethylamino)propanimidamide is N/C(CCNCCc1cccc2cccnc12)=N/O.
What is the InChIKey of N'-hydroxy-3-(2-quinolin-8-ylethylamino)propanimidamide?
The InChIKey is GHNRRHRGESHCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-13(18-19)7-10-16-9-6-12-4-1-3-11-5-2-8-17-14(11)12/h1-5,8,16,19H,6-7,9-10H2,(H2,15,18).
What are the key properties of N'-hydroxy-3-(2-quinolin-8-ylethylamino)propanimidamide?
N'-hydroxy-3-(2-quinolin-8-ylethylamino)propanimidamide has a molecular weight of 258.32 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(2-quinolin-8-ylethylamino)propanimidamide is sourced from PubChem (CID 81426159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).