N'-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanimidamide

C14H21N3O — CID 54945506

IUPACN'-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanimidamide
SMILESCc1ccc2c(c1)CCCN2C(C)C/C(N)=N/O
InChIInChI=1S/C14H21N3O/c1-10-5-6-13-12(8-10)4-3-7-17(13)11(2)9-14(15)16-18/h5-6,8,11,18H,3-4,7,9H2,1-2H3,(H2,15,16)
InChIKeyZLFKVNTTWASGFI-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.27
Rot. Bonds3

About N'-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanimidamide

N'-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanimidamide (PubChem CID 54945506) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N'-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanimidamide
PubChem CID54945506
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN'-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanimidamide
SMILESCc1ccc2c(c1)CCCN2C(C)C/C(N)=N/O
InChIInChI=1S/C14H21N3O/c1-10-5-6-13-12(8-10)4-3-7-17(13)11(2)9-14(15)16-18/h5-6,8,11,18H,3-4,7,9H2,1-2H3,(H2,15,16)
InChIKeyZLFKVNTTWASGFI-UHFFFAOYSA-N
XLogP2.27
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanethioamide
CID 54945043
3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide
CID 43174989
4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-propan-2-ylpentan-1-amine
CID 62419939
3-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 64692920
2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
CID 43808966
ethyl 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate
CID 64661866
N'-hydroxy-2-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)butanimidamide
CID 76926455
3-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 63491180
3-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline
CID 61263858
N'-hydroxy-2,2-dimethyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide
CID 77063046
(2S)-N-(4-acetamidophenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 8593571
4-bromo-2-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol
CID 82958799

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanimidamide?
The IUPAC name of N'-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanimidamide (CID 54945506) is N'-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanimidamide.
What is the SMILES notation for N'-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanimidamide?
The canonical SMILES for N'-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanimidamide is Cc1ccc2c(c1)CCCN2C(C)C/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanimidamide?
The InChIKey is ZLFKVNTTWASGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-5-6-13-12(8-10)4-3-7-17(13)11(2)9-14(15)16-18/h5-6,8,11,18H,3-4,7,9H2,1-2H3,(H2,15,16).
What are the key properties of N'-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanimidamide?
N'-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanimidamide has a molecular weight of 247.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanimidamide is sourced from PubChem (CID 54945506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).