O-[cyclohexyl-[5-(quinolin-2-ylmethoxy)-1-benzothiophen-2-yl]methyl]hydroxylamine

C25H26N2O2S — CID 10598133

IUPACO-[cyclohexyl-[5-(quinolin-2-ylmethoxy)-1-benzothiophen-2-yl]methyl]hydroxylamine
SMILESNOC(c1cc2cc(OCc3ccc4ccccc4n3)ccc2s1)C1CCCCC1
InChIInChI=1S/C25H26N2O2S/c26-29-25(18-7-2-1-3-8-18)24-15-19-14-21(12-13-23(19)30-24)28-16-20-11-10-17-6-4-5-9-22(17)27-20/h4-6,9-15,18,25H,1-3,7-8,16,26H2
InChIKeyDKHQCDUJSVKROB-UHFFFAOYSA-N
MW418.56 g/mol
LogP6.54
Rot. Bonds6

About O-[cyclohexyl-[5-(quinolin-2-ylmethoxy)-1-benzothiophen-2-yl]methyl]hydroxylamine

O-[cyclohexyl-[5-(quinolin-2-ylmethoxy)-1-benzothiophen-2-yl]methyl]hydroxylamine (PubChem CID 10598133) has the molecular formula C25H26N2O2S and a molecular weight of 418.56 g/mol. Its IUPAC name is O-[cyclohexyl-[5-(quinolin-2-ylmethoxy)-1-benzothiophen-2-yl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[cyclohexyl-[5-(quinolin-2-ylmethoxy)-1-benzothiophen-2-yl]methyl]hydroxylamine
PubChem CID10598133
Molecular FormulaC25H26N2O2S
Molecular Weight418.56 g/mol
Exact Mass418.17
IUPAC NameO-[cyclohexyl-[5-(quinolin-2-ylmethoxy)-1-benzothiophen-2-yl]methyl]hydroxylamine
SMILESNOC(c1cc2cc(OCc3ccc4ccccc4n3)ccc2s1)C1CCCCC1
InChIInChI=1S/C25H26N2O2S/c26-29-25(18-7-2-1-3-8-18)24-15-19-14-21(12-13-23(19)30-24)28-16-20-11-10-17-6-4-5-9-22(17)27-20/h4-6,9-15,18,25H,1-3,7-8,16,26H2
InChIKeyDKHQCDUJSVKROB-UHFFFAOYSA-N
XLogP6.54
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.56
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

O-[2-cyclohexyl-1-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]hydroxylamine
CID 10619562
acetyl-aminooxy-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]-hydroxyazanium
CID 173332529
(2E)-2-[cycloheptyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid
CID 10765188
2-cycloheptyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 19737370
methyl 3-cyclohexyl-2-[4-(quinolin-2-ylmethoxy)phenyl]propanoate;methyl 2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 161335113
2-[2-cycloheptyl-2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]oxaziridine-3-carboxylic acid
CID 54320479
6-(quinolin-2-ylmethoxy)naphthalene-2-carbonitrile
CID 23224654
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
methyl N-[2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-N-methylcarbamate
CID 67719075
2-[[3-(1,3-dithian-2-yl)phenoxy]methyl]quinoline
CID 14774169
2-[cyclopentyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]oxaziridine-3-carbaldehyde
CID 57218822
2-amino-2-(hydroxymethyl)propane-1,3-diol;(2S)-2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoic acid
CID 10435196

Frequently Asked Questions

What is the IUPAC name of O-[cyclohexyl-[5-(quinolin-2-ylmethoxy)-1-benzothiophen-2-yl]methyl]hydroxylamine?
The IUPAC name of O-[cyclohexyl-[5-(quinolin-2-ylmethoxy)-1-benzothiophen-2-yl]methyl]hydroxylamine (CID 10598133) is O-[cyclohexyl-[5-(quinolin-2-ylmethoxy)-1-benzothiophen-2-yl]methyl]hydroxylamine.
What is the SMILES notation for O-[cyclohexyl-[5-(quinolin-2-ylmethoxy)-1-benzothiophen-2-yl]methyl]hydroxylamine?
The canonical SMILES for O-[cyclohexyl-[5-(quinolin-2-ylmethoxy)-1-benzothiophen-2-yl]methyl]hydroxylamine is NOC(c1cc2cc(OCc3ccc4ccccc4n3)ccc2s1)C1CCCCC1.
What is the InChIKey of O-[cyclohexyl-[5-(quinolin-2-ylmethoxy)-1-benzothiophen-2-yl]methyl]hydroxylamine?
The InChIKey is DKHQCDUJSVKROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2S/c26-29-25(18-7-2-1-3-8-18)24-15-19-14-21(12-13-23(19)30-24)28-16-20-11-10-17-6-4-5-9-22(17)27-20/h4-6,9-15,18,25H,1-3,7-8,16,26H2.
What are the key properties of O-[cyclohexyl-[5-(quinolin-2-ylmethoxy)-1-benzothiophen-2-yl]methyl]hydroxylamine?
O-[cyclohexyl-[5-(quinolin-2-ylmethoxy)-1-benzothiophen-2-yl]methyl]hydroxylamine has a molecular weight of 418.56 g/mol, XLogP of 6.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[cyclohexyl-[5-(quinolin-2-ylmethoxy)-1-benzothiophen-2-yl]methyl]hydroxylamine is sourced from PubChem (CID 10598133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).