N-[(Z)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide

C23H25N3O2 — CID 133170340

IUPACN-[(Z)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESCC1CC(C)(C)N(C)c2ccc(/C=N\NC(=O)c3cc4ccccc4o3)cc21
InChIInChI=1S/C23H25N3O2/c1-15-13-23(2,3)26(4)19-10-9-16(11-18(15)19)14-24-25-22(27)21-12-17-7-5-6-8-20(17)28-21/h5-12,14-15H,13H2,1-4H3,(H,25,27)/b24-14-
InChIKeyUPOLJKIINRYVIZ-OYKKKHCWSA-N
MW375.47 g/mol
LogP4.92
Rot. Bonds3

About N-[(Z)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide

N-[(Z)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide (PubChem CID 133170340) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(Z)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide
PubChem CID133170340
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[(Z)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESCC1CC(C)(C)N(C)c2ccc(/C=N\NC(=O)c3cc4ccccc4o3)cc21
InChIInChI=1S/C23H25N3O2/c1-15-13-23(2,3)26(4)19-10-9-16(11-18(15)19)14-24-25-22(27)21-12-17-7-5-6-8-20(17)28-21/h5-12,14-15H,13H2,1-4H3,(H,25,27)/b24-14-
InChIKeyUPOLJKIINRYVIZ-OYKKKHCWSA-N
XLogP4.92
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(Z)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide (CID 133170340) is N-[(Z)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(Z)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(Z)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide is CC1CC(C)(C)N(C)c2ccc(/C=N\NC(=O)c3cc4ccccc4o3)cc21.
What is the InChIKey of N-[(Z)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide?
The InChIKey is UPOLJKIINRYVIZ-OYKKKHCWSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15-13-23(2,3)26(4)19-10-9-16(11-18(15)19)14-24-25-22(27)21-12-17-7-5-6-8-20(17)28-21/h5-12,14-15H,13H2,1-4H3,(H,25,27)/b24-14-.
What are the key properties of N-[(Z)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide?
N-[(Z)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.92, 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-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 133170340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).