N'-hydroxy-1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboximidamide

C16H21N3O2 — CID 80598659

IUPACN'-hydroxy-1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboximidamide
SMILESCC1Cc2ccccc2N(C(=O)C2(/C(N)=N/O)CCC2)C1
InChIInChI=1S/C16H21N3O2/c1-11-9-12-5-2-3-6-13(12)19(10-11)15(20)16(7-4-8-16)14(17)18-21/h2-3,5-6,11,21H,4,7-10H2,1H3,(H2,17,18)
InChIKeyGHZFYWZFVYQRGX-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.13
Rot. Bonds2

About N'-hydroxy-1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboximidamide

N'-hydroxy-1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboximidamide (PubChem CID 80598659) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N'-hydroxy-1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboximidamide
PubChem CID80598659
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN'-hydroxy-1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboximidamide
SMILESCC1Cc2ccccc2N(C(=O)C2(/C(N)=N/O)CCC2)C1
InChIInChI=1S/C16H21N3O2/c1-11-9-12-5-2-3-6-13(12)19(10-11)15(20)16(7-4-8-16)14(17)18-21/h2-3,5-6,11,21H,4,7-10H2,1H3,(H2,17,18)
InChIKeyGHZFYWZFVYQRGX-UHFFFAOYSA-N
XLogP2.13
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.13
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

(1-aminocyclobutyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81169109
1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carbonitrile
CID 63378040
3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63466515
N',3-dimethyl-3,4-dihydro-2H-quinoline-1-carboximidamide
CID 63489252
N-(2,3-dihydro-1H-inden-2-yl)-1-[(E)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide
CID 107856124
(2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride
CID 119319569
(2-aminophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63401608
2-amino-3-methyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 63522833
N'-hydroxy-1-(3-methylpiperidine-1-carbonyl)cyclopentane-1-carboximidamide
CID 76920228
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one
CID 166787570
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(nitrosomethyl)prop-2-en-1-one
CID 166787687
(2R)-2-amino-3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 103929918

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboximidamide (CID 80598659) is N'-hydroxy-1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboximidamide is CC1Cc2ccccc2N(C(=O)C2(/C(N)=N/O)CCC2)C1.
What is the InChIKey of N'-hydroxy-1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboximidamide?
The InChIKey is GHZFYWZFVYQRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-9-12-5-2-3-6-13(12)19(10-11)15(20)16(7-4-8-16)14(17)18-21/h2-3,5-6,11,21H,4,7-10H2,1H3,(H2,17,18).
What are the key properties of N'-hydroxy-1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboximidamide?
N'-hydroxy-1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboximidamide has a molecular weight of 287.36 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboximidamide is sourced from PubChem (CID 80598659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).