N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-quinolin-8-ylsulfanylacetamide

C18H19N3OS — CID 5395449

IUPACN-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-quinolin-8-ylsulfanylacetamide
SMILESO=C(CSc1cccc2cccnc12)N/N=C\[C@H]1CC=CCC1
InChIInChI=1S/C18H19N3OS/c22-17(21-20-12-14-6-2-1-3-7-14)13-23-16-10-4-8-15-9-5-11-19-18(15)16/h1-2,4-5,8-12,14H,3,6-7,13H2,(H,21,22)/b20-12-/t14-/m0/s1
InChIKeyZYRCUHKSOIAGLI-GQFJFNLSSA-N
MW325.44 g/mol
LogP3.79
Rot. Bonds5

About N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-quinolin-8-ylsulfanylacetamide

N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-quinolin-8-ylsulfanylacetamide (PubChem CID 5395449) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-quinolin-8-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-quinolin-8-ylsulfanylacetamide
PubChem CID5395449
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-quinolin-8-ylsulfanylacetamide
SMILESO=C(CSc1cccc2cccnc12)N/N=C\[C@H]1CC=CCC1
InChIInChI=1S/C18H19N3OS/c22-17(21-20-12-14-6-2-1-3-7-14)13-23-16-10-4-8-15-9-5-11-19-18(15)16/h1-2,4-5,8-12,14H,3,6-7,13H2,(H,21,22)/b20-12-/t14-/m0/s1
InChIKeyZYRCUHKSOIAGLI-GQFJFNLSSA-N
XLogP3.79
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohex-3-en-1-ylmethylideneamino)-2-quinolin-8-ylsulfanylacetamide
CID 4537470
N-[(Z)-pyridin-4-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 5405310
N-[(E)-(4-bromophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 6882442
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 1240020
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 136863963
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 5435358
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 136911345
N-(cyclohex-3-en-1-ylmethylideneamino)-2-naphthalen-2-yloxyacetamide
CID 5202490
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 4169698
N-[(1S,2S)-2-methylcyclohexyl]-2-quinolin-8-ylsulfanylacetamide
CID 1276988
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]acetamide
CID 8879163
N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 5435758

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-quinolin-8-ylsulfanylacetamide?
The IUPAC name of N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-quinolin-8-ylsulfanylacetamide (CID 5395449) is N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-quinolin-8-ylsulfanylacetamide.
What is the SMILES notation for N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-quinolin-8-ylsulfanylacetamide?
The canonical SMILES for N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-quinolin-8-ylsulfanylacetamide is O=C(CSc1cccc2cccnc12)N/N=C\[C@H]1CC=CCC1.
What is the InChIKey of N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-quinolin-8-ylsulfanylacetamide?
The InChIKey is ZYRCUHKSOIAGLI-GQFJFNLSSA-N. The full InChI is InChI=1S/C18H19N3OS/c22-17(21-20-12-14-6-2-1-3-7-14)13-23-16-10-4-8-15-9-5-11-19-18(15)16/h1-2,4-5,8-12,14H,3,6-7,13H2,(H,21,22)/b20-12-/t14-/m0/s1.
What are the key properties of N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-quinolin-8-ylsulfanylacetamide?
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-quinolin-8-ylsulfanylacetamide has a molecular weight of 325.44 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-quinolin-8-ylsulfanylacetamide is sourced from PubChem (CID 5395449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).