[3-methoxy-1-(quinolin-3-ylmethylsulfanyl)butan-2-ylidene]-nitrosophosphane

C15H17N2O2PS — CID 142246163

IUPAC[3-methoxy-1-(quinolin-3-ylmethylsulfanyl)butan-2-ylidene]-nitrosophosphane
SMILESCOC(C)/C(CSCc1cnc2ccccc2c1)=P/N=O
InChIInChI=1S/C15H17N2O2PS/c1-11(19-2)15(20-17-18)10-21-9-12-7-13-5-3-4-6-14(13)16-8-12/h3-8,11H,9-10H2,1-2H3
InChIKeyQMRHVSGTBLIRIZ-UHFFFAOYSA-N
MW320.35 g/mol
LogP4.30
Rot. Bonds7

About [3-methoxy-1-(quinolin-3-ylmethylsulfanyl)butan-2-ylidene]-nitrosophosphane

[3-methoxy-1-(quinolin-3-ylmethylsulfanyl)butan-2-ylidene]-nitrosophosphane (PubChem CID 142246163) has the molecular formula C15H17N2O2PS and a molecular weight of 320.35 g/mol. Its IUPAC name is [3-methoxy-1-(quinolin-3-ylmethylsulfanyl)butan-2-ylidene]-nitrosophosphane.

Molecular Properties

Compound Name[3-methoxy-1-(quinolin-3-ylmethylsulfanyl)butan-2-ylidene]-nitrosophosphane
PubChem CID142246163
Molecular FormulaC15H17N2O2PS
Molecular Weight320.35 g/mol
Exact Mass320.07
IUPAC Name[3-methoxy-1-(quinolin-3-ylmethylsulfanyl)butan-2-ylidene]-nitrosophosphane
SMILESCOC(C)/C(CSCc1cnc2ccccc2c1)=P/N=O
InChIInChI=1S/C15H17N2O2PS/c1-11(19-2)15(20-17-18)10-21-9-12-7-13-5-3-4-6-14(13)16-8-12/h3-8,11H,9-10H2,1-2H3
InChIKeyQMRHVSGTBLIRIZ-UHFFFAOYSA-N
XLogP4.30
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-[(3-methoxy-2-nitrosobutyl)sulfanylmethyl]quinoline
CID 91138000
3,3-dimethyl-1-(quinolin-3-ylmethylsulfanyl)butan-2-one
CID 154803450
ethane;3-[[(3R)-3-methoxybutyl]sulfanylmethyl]quinoline;propane
CID 142246165
(2S)-2-amino-3-(quinolin-3-ylmethylsulfanyl)propanoic acid
CID 114203513
3-(quinolin-3-ylmethylsulfanyl)butanoic acid
CID 114203431
1-(quinolin-3-ylmethylamino)ethanol
CID 143559456
3-(2-methylpropyl)quinoline
CID 12072851
2-methyl-N-(quinolin-3-ylmethyl)propanamide
CID 110733747
methyl 3-(quinolin-3-ylmethylamino)propanoate
CID 114203484
3-(diethoxyphosphorylmethyl)quinoline
CID 87383457
hydroxylamine;3-[[(3R)-3-methoxybutyl]sulfonylmethyl]quinoline
CID 142246156
N-(quinolin-3-ylmethyl)ethanamine
CID 16640553

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-1-(quinolin-3-ylmethylsulfanyl)butan-2-ylidene]-nitrosophosphane?
The IUPAC name of [3-methoxy-1-(quinolin-3-ylmethylsulfanyl)butan-2-ylidene]-nitrosophosphane (CID 142246163) is [3-methoxy-1-(quinolin-3-ylmethylsulfanyl)butan-2-ylidene]-nitrosophosphane.
What is the SMILES notation for [3-methoxy-1-(quinolin-3-ylmethylsulfanyl)butan-2-ylidene]-nitrosophosphane?
The canonical SMILES for [3-methoxy-1-(quinolin-3-ylmethylsulfanyl)butan-2-ylidene]-nitrosophosphane is COC(C)/C(CSCc1cnc2ccccc2c1)=P/N=O.
What is the InChIKey of [3-methoxy-1-(quinolin-3-ylmethylsulfanyl)butan-2-ylidene]-nitrosophosphane?
The InChIKey is QMRHVSGTBLIRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N2O2PS/c1-11(19-2)15(20-17-18)10-21-9-12-7-13-5-3-4-6-14(13)16-8-12/h3-8,11H,9-10H2,1-2H3.
What are the key properties of [3-methoxy-1-(quinolin-3-ylmethylsulfanyl)butan-2-ylidene]-nitrosophosphane?
[3-methoxy-1-(quinolin-3-ylmethylsulfanyl)butan-2-ylidene]-nitrosophosphane has a molecular weight of 320.35 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-1-(quinolin-3-ylmethylsulfanyl)butan-2-ylidene]-nitrosophosphane is sourced from PubChem (CID 142246163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).