N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide

C23H22ClN3O2 — CID 133170270

IUPACN-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESCC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)c3cc4ccccc4o3)cc21
InChIInChI=1S/C23H22ClN3O2/c1-14-12-23(2,3)27(4)19-11-18(24)16(9-17(14)19)13-25-26-22(28)21-10-15-7-5-6-8-20(15)29-21/h5-13H,1-4H3,(H,26,28)/b25-13-
InChIKeyVRVALXMPVBMUIY-MXAYSNPKSA-N
MW407.90 g/mol
LogP5.48
Rot. Bonds3

About N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide

N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide (PubChem CID 133170270) has the molecular formula C23H22ClN3O2 and a molecular weight of 407.90 g/mol. Its IUPAC name is N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide
PubChem CID133170270
Molecular FormulaC23H22ClN3O2
Molecular Weight407.90 g/mol
Exact Mass407.14
IUPAC NameN-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESCC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)c3cc4ccccc4o3)cc21
InChIInChI=1S/C23H22ClN3O2/c1-14-12-23(2,3)27(4)19-11-18(24)16(9-17(14)19)13-25-26-22(28)21-10-15-7-5-6-8-20(15)29-21/h5-13H,1-4H3,(H,26,28)/b25-13-
InChIKeyVRVALXMPVBMUIY-MXAYSNPKSA-N
XLogP5.48
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.90
LogP ≤ 55.48
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)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

5-chloro-N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 50864660
N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide
CID 50864943
N-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-methoxybenzamide
CID 133170243
5-nitro-N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 50864702
N-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 50864873
N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide
CID 50868835
5-chloro-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 50866727
N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
CID 50868948
5,7-dibromo-N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 50868838
3-hydroxy-N-[(E)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide
CID 50864727
N-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 50865170
3,4-dichloro-N-[(E)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide
CID 133170003

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide (CID 133170270) is N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide is CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)c3cc4ccccc4o3)cc21.
What is the InChIKey of N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide?
The InChIKey is VRVALXMPVBMUIY-MXAYSNPKSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c1-14-12-23(2,3)27(4)19-11-18(24)16(9-17(14)19)13-25-26-22(28)21-10-15-7-5-6-8-20(15)29-21/h5-13H,1-4H3,(H,26,28)/b25-13-.
What are the key properties of N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide?
N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide has a molecular weight of 407.90 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 133170270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).