N'-hydroxy-2-(oxolan-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide

C15H21N3O3 — CID 76917047

IUPACN'-hydroxy-2-(oxolan-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
SMILESNC(=NO)c1cc2c(nc1OCC1CCCO1)CCCC2
InChIInChI=1S/C15H21N3O3/c16-14(18-19)12-8-10-4-1-2-6-13(10)17-15(12)21-9-11-5-3-7-20-11/h8,11,19H,1-7,9H2,(H2,16,18)
InChIKeyGRISOXPLVDMUAV-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.61
Rot. Bonds4

About N'-hydroxy-2-(oxolan-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide

N'-hydroxy-2-(oxolan-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide (PubChem CID 76917047) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N'-hydroxy-2-(oxolan-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(oxolan-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
PubChem CID76917047
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN'-hydroxy-2-(oxolan-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
SMILESNC(=NO)c1cc2c(nc1OCC1CCCO1)CCCC2
InChIInChI=1S/C15H21N3O3/c16-14(18-19)12-8-10-4-1-2-6-13(10)17-15(12)21-9-11-5-3-7-20-11/h8,11,19H,1-7,9H2,(H2,16,18)
InChIKeyGRISOXPLVDMUAV-UHFFFAOYSA-N
XLogP1.61
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N'-hydroxy-2-propoxy-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 76916958
2-cyclopentyloxy-N'-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 76917027
N'-hydroxy-2-(2-methylpropoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 76916525
N'-hydroxy-2-(2-thiophen-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 76916556
N'-hydroxy-4-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide
CID 62308507
N'-hydroxy-3-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide
CID 107109641
N'-hydroxy-2-(oxan-2-ylmethoxy)benzenecarboximidamide
CID 43200025
N'-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 77102483
N'-hydroxy-2-pyridin-3-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 76916481
N'-hydroxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 106597215
2-(cyclopentylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 66323708
2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 76950871

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(oxolan-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-(oxolan-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide (CID 76917047) is N'-hydroxy-2-(oxolan-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(oxolan-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(oxolan-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide is NC(=NO)c1cc2c(nc1OCC1CCCO1)CCCC2.
What is the InChIKey of N'-hydroxy-2-(oxolan-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The InChIKey is GRISOXPLVDMUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-14(18-19)12-8-10-4-1-2-6-13(10)17-15(12)21-9-11-5-3-7-20-11/h8,11,19H,1-7,9H2,(H2,16,18).
What are the key properties of N'-hydroxy-2-(oxolan-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
N'-hydroxy-2-(oxolan-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide has a molecular weight of 291.35 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(oxolan-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide is sourced from PubChem (CID 76917047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).