N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide

C22H17N3O2S — CID 1240020

IUPACN-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
SMILESO=C(CSc1cccc2cccnc12)NN=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C22H17N3O2S/c26-19-11-10-15-5-1-2-8-17(15)18(19)13-24-25-21(27)14-28-20-9-3-6-16-7-4-12-23-22(16)20/h1-13,26H,14H2,(H,25,27)
InChIKeyVUBAZZSYSJKAIQ-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.34
Rot. Bonds5

About N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide

N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide (PubChem CID 1240020) has the molecular formula C22H17N3O2S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
PubChem CID1240020
Molecular FormulaC22H17N3O2S
Molecular Weight387.46 g/mol
Exact Mass387.10
IUPAC NameN-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
SMILESO=C(CSc1cccc2cccnc12)NN=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C22H17N3O2S/c26-19-11-10-15-5-1-2-8-17(15)18(19)13-24-25-21(27)14-28-20-9-3-6-16-7-4-12-23-22(16)20/h1-13,26H,14H2,(H,25,27)
InChIKeyVUBAZZSYSJKAIQ-UHFFFAOYSA-N
XLogP4.34
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 136863963
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 136914799
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 136911345
N-[(Z)-pyridin-4-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 5405310
N-[(E)-(4-bromophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 6882442
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 5435358
1-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]naphthalen-2-ol
CID 136913864
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 4169698
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide
CID 135616078
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 172961658
N-benzyl-2-quinolin-8-ylsulfanylacetamide
CID 673909

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide?
The IUPAC name of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide (CID 1240020) is N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide.
What is the SMILES notation for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide?
The canonical SMILES for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide is O=C(CSc1cccc2cccnc12)NN=Cc1c(O)ccc2ccccc12.
What is the InChIKey of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide?
The InChIKey is VUBAZZSYSJKAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2S/c26-19-11-10-15-5-1-2-8-17(15)18(19)13-24-25-21(27)14-28-20-9-3-6-16-7-4-12-23-22(16)20/h1-13,26H,14H2,(H,25,27).
What are the key properties of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide?
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide has a molecular weight of 387.46 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide is sourced from PubChem (CID 1240020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).