N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide

C20H23N3OS — CID 133170033

IUPACN-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide
SMILESCC1=CC(C)(C)N(C)c2cc(C)c(/C=N\NC(=O)c3cccs3)cc21
InChIInChI=1S/C20H23N3OS/c1-13-9-17-16(14(2)11-20(3,4)23(17)5)10-15(13)12-21-22-19(24)18-7-6-8-25-18/h6-12H,1-5H3,(H,22,24)/b21-12-
InChIKeyLFTATRMRVPYBPS-MTJSOVHGSA-N
MW353.49 g/mol
LogP4.45
Rot. Bonds3

About N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide

N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide (PubChem CID 133170033) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide
PubChem CID133170033
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC NameN-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide
SMILESCC1=CC(C)(C)N(C)c2cc(C)c(/C=N\NC(=O)c3cccs3)cc21
InChIInChI=1S/C20H23N3OS/c1-13-9-17-16(14(2)11-20(3,4)23(17)5)10-15(13)12-21-22-19(24)18-7-6-8-25-18/h6-12H,1-5H3,(H,22,24)/b21-12-
InChIKeyLFTATRMRVPYBPS-MTJSOVHGSA-N
XLogP4.45
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide
CID 133170034
3-hydroxy-N-[(E)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide
CID 50864727
4-methyl-N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide
CID 50864674
4-hydroxy-N-[(E)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide
CID 133169998
2-hydroxy-N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]-2,2-diphenylacetamide
CID 50864651
3,4-dichloro-N-[(E)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide
CID 133170003
N-[(Z)-(2,2,4-trimethyl-1-propan-2-ylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide
CID 133169964
5-chloro-N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 50864660
N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline
CID 50864633
N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]thiophene-2-carboxamide
CID 133170605
5-nitro-N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 50864702
N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide
CID 50864943

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide (CID 133170033) is N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide is CC1=CC(C)(C)N(C)c2cc(C)c(/C=N\NC(=O)c3cccs3)cc21.
What is the InChIKey of N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide?
The InChIKey is LFTATRMRVPYBPS-MTJSOVHGSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-13-9-17-16(14(2)11-20(3,4)23(17)5)10-15(13)12-21-22-19(24)18-7-6-8-25-18/h6-12H,1-5H3,(H,22,24)/b21-12-.
What are the key properties of N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide?
N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 133170033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).