N-[(6-methoxy-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-quinolin-8-ylsulfanylacetamide

C23H23N3O2S — CID 1035334

IUPACN-[(6-methoxy-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-quinolin-8-ylsulfanylacetamide
SMILESCOc1cc(C)c2c(c1)CCCC2=NNC(=O)CSc1cccc2cccnc12
InChIInChI=1S/C23H23N3O2S/c1-15-12-18(28-2)13-17-7-3-9-19(22(15)17)25-26-21(27)14-29-20-10-4-6-16-8-5-11-24-23(16)20/h4-6,8,10-13H,3,7,9,14H2,1-2H3,(H,26,27)
InChIKeyZCMXSNJUJDZTLZ-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.50
Rot. Bonds5

About N-[(6-methoxy-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-quinolin-8-ylsulfanylacetamide

N-[(6-methoxy-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-quinolin-8-ylsulfanylacetamide (PubChem CID 1035334) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[(6-methoxy-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-quinolin-8-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(6-methoxy-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-quinolin-8-ylsulfanylacetamide
PubChem CID1035334
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC NameN-[(6-methoxy-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-quinolin-8-ylsulfanylacetamide
SMILESCOc1cc(C)c2c(c1)CCCC2=NNC(=O)CSc1cccc2cccnc12
InChIInChI=1S/C23H23N3O2S/c1-15-12-18(28-2)13-17-7-3-9-19(22(15)17)25-26-21(27)14-29-20-10-4-6-16-8-5-11-24-23(16)20/h4-6,8,10-13H,3,7,9,14H2,1-2H3,(H,26,27)
InChIKeyZCMXSNJUJDZTLZ-UHFFFAOYSA-N
XLogP4.50
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(6-methoxy-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-quinolin-8-ylsulfanylacetamide with MolForge

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Related Compounds

N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 135673666
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 5435358
N-(2,5-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide
CID 1121409
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 4169698
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 135673668
N-[(1S,2S)-2-methylcyclohexyl]-2-quinolin-8-ylsulfanylacetamide
CID 1276988
N-[(Z)-pyridin-4-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 5405310
N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 5435758
ethyl 2-quinolin-8-ylsulfanylacetate
CID 975565
N-[(E)-(4-bromophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 6882442
N-(2-chloro-4-methylphenyl)-2-quinolin-8-ylsulfanylacetamide
CID 4297004
1-(2,4-dimethylphenyl)-2-quinolin-8-ylsulfanylethanone
CID 872997

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-quinolin-8-ylsulfanylacetamide?
The IUPAC name of N-[(6-methoxy-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-quinolin-8-ylsulfanylacetamide (CID 1035334) is N-[(6-methoxy-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-quinolin-8-ylsulfanylacetamide.
What is the SMILES notation for N-[(6-methoxy-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-quinolin-8-ylsulfanylacetamide?
The canonical SMILES for N-[(6-methoxy-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-quinolin-8-ylsulfanylacetamide is COc1cc(C)c2c(c1)CCCC2=NNC(=O)CSc1cccc2cccnc12.
What is the InChIKey of N-[(6-methoxy-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-quinolin-8-ylsulfanylacetamide?
The InChIKey is ZCMXSNJUJDZTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-15-12-18(28-2)13-17-7-3-9-19(22(15)17)25-26-21(27)14-29-20-10-4-6-16-8-5-11-24-23(16)20/h4-6,8,10-13H,3,7,9,14H2,1-2H3,(H,26,27).
What are the key properties of N-[(6-methoxy-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-quinolin-8-ylsulfanylacetamide?
N-[(6-methoxy-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-quinolin-8-ylsulfanylacetamide has a molecular weight of 405.52 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-quinolin-8-ylsulfanylacetamide is sourced from PubChem (CID 1035334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).