N-[(E)-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide

C23H28FN3O2 — CID 50863252

IUPACN-[(E)-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide
SMILESCCCN1c2cc(F)c(/C=N/NC(=O)c3cccc(O)c3)cc2C(C)CC1(C)C
InChIInChI=1S/C23H28FN3O2/c1-5-9-27-21-12-20(24)17(11-19(21)15(2)13-23(27,3)4)14-25-26-22(29)16-7-6-8-18(28)10-16/h6-8,10-12,14-15,28H,5,9,13H2,1-4H3,(H,26,29)/b25-14+
InChIKeyFVMACQOJAZQULH-AFUMVMLFSA-N
MW397.49 g/mol
LogP4.80
Rot. Bonds5

About N-[(E)-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide

N-[(E)-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide (PubChem CID 50863252) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is N-[(E)-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide
PubChem CID50863252
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC NameN-[(E)-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide
SMILESCCCN1c2cc(F)c(/C=N/NC(=O)c3cccc(O)c3)cc2C(C)CC1(C)C
InChIInChI=1S/C23H28FN3O2/c1-5-9-27-21-12-20(24)17(11-19(21)15(2)13-23(27,3)4)14-25-26-22(29)16-7-6-8-18(28)10-16/h6-8,10-12,14-15,28H,5,9,13H2,1-4H3,(H,26,29)/b25-14+
InChIKeyFVMACQOJAZQULH-AFUMVMLFSA-N
XLogP4.80
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 54.80
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide?
The IUPAC name of N-[(E)-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide (CID 50863252) is N-[(E)-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide.
What is the SMILES notation for N-[(E)-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide?
The canonical SMILES for N-[(E)-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide is CCCN1c2cc(F)c(/C=N/NC(=O)c3cccc(O)c3)cc2C(C)CC1(C)C.
What is the InChIKey of N-[(E)-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide?
The InChIKey is FVMACQOJAZQULH-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-5-9-27-21-12-20(24)17(11-19(21)15(2)13-23(27,3)4)14-25-26-22(29)16-7-6-8-18(28)10-16/h6-8,10-12,14-15,28H,5,9,13H2,1-4H3,(H,26,29)/b25-14+.
What are the key properties of N-[(E)-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide?
N-[(E)-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide has a molecular weight of 397.49 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide is sourced from PubChem (CID 50863252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).