N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-4-hydroxybenzamide

C23H26FN3O2 — CID 50869212

IUPACN-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-4-hydroxybenzamide
SMILESCCCN1c2cc(F)c(/C=N\NC(=O)c3ccc(O)cc3)cc2C(C)=CC1(C)C
InChIInChI=1S/C23H26FN3O2/c1-5-10-27-21-12-20(24)17(11-19(21)15(2)13-23(27,3)4)14-25-26-22(29)16-6-8-18(28)9-7-16/h6-9,11-14,28H,5,10H2,1-4H3,(H,26,29)/b25-14-
InChIKeyABOJGFUFANNKTB-QFEZKATASA-N
MW395.48 g/mol
LogP4.71
Rot. Bonds5

About N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-4-hydroxybenzamide

N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-4-hydroxybenzamide (PubChem CID 50869212) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-4-hydroxybenzamide
PubChem CID50869212
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC NameN-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-4-hydroxybenzamide
SMILESCCCN1c2cc(F)c(/C=N\NC(=O)c3ccc(O)cc3)cc2C(C)=CC1(C)C
InChIInChI=1S/C23H26FN3O2/c1-5-10-27-21-12-20(24)17(11-19(21)15(2)13-23(27,3)4)14-25-26-22(29)16-6-8-18(28)9-7-16/h6-9,11-14,28H,5,10H2,1-4H3,(H,26,29)/b25-14-
InChIKeyABOJGFUFANNKTB-QFEZKATASA-N
XLogP4.71
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.71
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'}

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Related Compounds

3,5-dibromo-N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-4-hydroxybenzamide
CID 50869480
N-[(Z)-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]pyridine-4-carboxamide
CID 50867469
2-chloro-N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-4-methylbenzamide
CID 50869426
4-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzamide
CID 50867527
4-hydroxy-N-[(E)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide
CID 133169998
N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 50869439
N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
CID 50868948
4-iodo-3-methoxy-N-[(E)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50868466
2-(3-chlorophenoxy)-N-[(E)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]acetamide
CID 50869490
N-[(Z)-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 50865573
N-(2-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50869663
3-bromo-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50868220

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-4-hydroxybenzamide (CID 50869212) is N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-4-hydroxybenzamide is CCCN1c2cc(F)c(/C=N\NC(=O)c3ccc(O)cc3)cc2C(C)=CC1(C)C.
What is the InChIKey of N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-4-hydroxybenzamide?
The InChIKey is ABOJGFUFANNKTB-QFEZKATASA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-5-10-27-21-12-20(24)17(11-19(21)15(2)13-23(27,3)4)14-25-26-22(29)16-6-8-18(28)9-7-16/h6-9,11-14,28H,5,10H2,1-4H3,(H,26,29)/b25-14-.
What are the key properties of N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-4-hydroxybenzamide?
N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-4-hydroxybenzamide has a molecular weight of 395.48 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 50869212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).