N-[(Z)-(2,2,4-trimethyl-1-propan-2-ylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide

C21H25N3OS — CID 133169964

IUPACN-[(Z)-(2,2,4-trimethyl-1-propan-2-ylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide
SMILESCC1=CC(C)(C)N(C(C)C)c2ccc(/C=N\NC(=O)c3cccs3)cc21
InChIInChI=1S/C21H25N3OS/c1-14(2)24-18-9-8-16(11-17(18)15(3)12-21(24,4)5)13-22-23-20(25)19-7-6-10-26-19/h6-14H,1-5H3,(H,23,25)/b22-13-
InChIKeyROTMLBSWHDUQRO-XKZIYDEJSA-N
MW367.52 g/mol
LogP4.92
Rot. Bonds4

About N-[(Z)-(2,2,4-trimethyl-1-propan-2-ylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide

N-[(Z)-(2,2,4-trimethyl-1-propan-2-ylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide (PubChem CID 133169964) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is N-[(Z)-(2,2,4-trimethyl-1-propan-2-ylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2,2,4-trimethyl-1-propan-2-ylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide
PubChem CID133169964
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC NameN-[(Z)-(2,2,4-trimethyl-1-propan-2-ylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide
SMILESCC1=CC(C)(C)N(C(C)C)c2ccc(/C=N\NC(=O)c3cccs3)cc21
InChIInChI=1S/C21H25N3OS/c1-14(2)24-18-9-8-16(11-17(18)15(3)12-21(24,4)5)13-22-23-20(25)19-7-6-10-26-19/h6-14H,1-5H3,(H,23,25)/b22-13-
InChIKeyROTMLBSWHDUQRO-XKZIYDEJSA-N
XLogP4.92
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 54.92
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'}

Analyze N-[(Z)-(2,2,4-trimethyl-1-propan-2-ylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide
CID 133170033
2-(2,4-dichlorophenoxy)-N-[(Z)-(2,2,4-trimethyl-1-propan-2-ylquinolin-6-yl)methylideneamino]acetamide
CID 133169976
4-nitro-N-[(E)-(2,2,4-trimethyl-1-propan-2-ylquinolin-6-yl)methylideneamino]aniline
CID 133170881
3-hydroxy-N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]benzamide
CID 50864186
N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide
CID 133170764
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 768844
N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]pyridine-4-carboxamide
CID 133170834
2-bromo-N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzamide
CID 133170826
N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-fluorobenzamide
CID 50866202
N-[[4-(dimethylamino)phenyl]methylideneamino]thiophene-2-carboxamide
CID 773960
N-[(E)-(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
CID 6878439
N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
CID 50866258

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,2,4-trimethyl-1-propan-2-ylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(Z)-(2,2,4-trimethyl-1-propan-2-ylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide (CID 133169964) is N-[(Z)-(2,2,4-trimethyl-1-propan-2-ylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-(2,2,4-trimethyl-1-propan-2-ylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-(2,2,4-trimethyl-1-propan-2-ylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide is CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N\NC(=O)c3cccs3)cc21.
What is the InChIKey of N-[(Z)-(2,2,4-trimethyl-1-propan-2-ylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide?
The InChIKey is ROTMLBSWHDUQRO-XKZIYDEJSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-14(2)24-18-9-8-16(11-17(18)15(3)12-21(24,4)5)13-22-23-20(25)19-7-6-10-26-19/h6-14H,1-5H3,(H,23,25)/b22-13-.
What are the key properties of N-[(Z)-(2,2,4-trimethyl-1-propan-2-ylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide?
N-[(Z)-(2,2,4-trimethyl-1-propan-2-ylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide has a molecular weight of 367.52 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,2,4-trimethyl-1-propan-2-ylquinolin-6-yl)methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 133169964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).