1-(2-methoxyphenyl)-3-[(E)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]urea

C25H32N4O2 — CID 50868604

IUPAC1-(2-methoxyphenyl)-3-[(E)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]urea
SMILESCCCN1c2cc(C)c(/C=N/NC(=O)Nc3ccccc3OC)cc2C(C)=CC1(C)C
InChIInChI=1S/C25H32N4O2/c1-7-12-29-22-13-17(2)19(14-20(22)18(3)15-25(29,4)5)16-26-28-24(30)27-21-10-8-9-11-23(21)31-6/h8-11,13-16H,7,12H2,1-6H3,(H2,27,28,30)/b26-16+
InChIKeyPVRHORDTAGUTOT-WGOQTCKBSA-N
MW420.56 g/mol
LogP5.57
Rot. Bonds6

About 1-(2-methoxyphenyl)-3-[(E)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]urea

1-(2-methoxyphenyl)-3-[(E)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]urea (PubChem CID 50868604) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[(E)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[(E)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]urea
PubChem CID50868604
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name1-(2-methoxyphenyl)-3-[(E)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]urea
SMILESCCCN1c2cc(C)c(/C=N/NC(=O)Nc3ccccc3OC)cc2C(C)=CC1(C)C
InChIInChI=1S/C25H32N4O2/c1-7-12-29-22-13-17(2)19(14-20(22)18(3)15-25(29,4)5)16-26-28-24(30)27-21-10-8-9-11-23(21)31-6/h8-11,13-16H,7,12H2,1-6H3,(H2,27,28,30)/b26-16+
InChIKeyPVRHORDTAGUTOT-WGOQTCKBSA-N
XLogP5.57
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 55.57
H-Bond Donors ≤ 52
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 1-(2-methoxyphenyl)-3-[(E)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]urea with MolForge

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Related Compounds

1-[(E)-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-(2-methoxyphenyl)urea
CID 50867343
4-iodo-3-methoxy-N-[(E)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50868466
5-bromo-2-methoxy-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50868736
3-hydroxy-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
CID 50868530
N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 50866711
N-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylidene]hydroxylamine
CID 50868475
N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 50869439
N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide
CID 50866775
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]acetamide
CID 50868706
methyl 3-methyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoate
CID 50868984
N-phenyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]aniline
CID 50868952
N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 50866666

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[(E)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[(E)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]urea (CID 50868604) is 1-(2-methoxyphenyl)-3-[(E)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[(E)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[(E)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]urea is CCCN1c2cc(C)c(/C=N/NC(=O)Nc3ccccc3OC)cc2C(C)=CC1(C)C.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[(E)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]urea?
The InChIKey is PVRHORDTAGUTOT-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-7-12-29-22-13-17(2)19(14-20(22)18(3)15-25(29,4)5)16-26-28-24(30)27-21-10-8-9-11-23(21)31-6/h8-11,13-16H,7,12H2,1-6H3,(H2,27,28,30)/b26-16+.
What are the key properties of 1-(2-methoxyphenyl)-3-[(E)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]urea?
1-(2-methoxyphenyl)-3-[(E)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]urea has a molecular weight of 420.56 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[(E)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]urea is sourced from PubChem (CID 50868604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).