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

C22H26FN3O2 — CID 50861314

IUPACN-[(E)-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide
SMILESCCN1c2cc(F)c(/C=N/NC(=O)c3cccc(O)c3)cc2C(C)CC1(C)C
InChIInChI=1S/C22H26FN3O2/c1-5-26-20-11-19(23)16(10-18(20)14(2)12-22(26,3)4)13-24-25-21(28)15-7-6-8-17(27)9-15/h6-11,13-14,27H,5,12H2,1-4H3,(H,25,28)/b24-13+
InChIKeyLYDNVEDYFZIITN-ZMOGYAJESA-N
MW383.47 g/mol
LogP4.41
Rot. Bonds4

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

N-[(E)-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide (PubChem CID 50861314) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[(E)-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide
PubChem CID50861314
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC NameN-[(E)-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide
SMILESCCN1c2cc(F)c(/C=N/NC(=O)c3cccc(O)c3)cc2C(C)CC1(C)C
InChIInChI=1S/C22H26FN3O2/c1-5-26-20-11-19(23)16(10-18(20)14(2)12-22(26,3)4)13-24-25-21(28)15-7-6-8-17(27)9-15/h6-11,13-14,27H,5,12H2,1-4H3,(H,25,28)/b24-13+
InChIKeyLYDNVEDYFZIITN-ZMOGYAJESA-N
XLogP4.41
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.41
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)-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide?
The IUPAC name of N-[(E)-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide (CID 50861314) is N-[(E)-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide.
What is the SMILES notation for N-[(E)-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide?
The canonical SMILES for N-[(E)-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide is CCN1c2cc(F)c(/C=N/NC(=O)c3cccc(O)c3)cc2C(C)CC1(C)C.
What is the InChIKey of N-[(E)-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide?
The InChIKey is LYDNVEDYFZIITN-ZMOGYAJESA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-5-26-20-11-19(23)16(10-18(20)14(2)12-22(26,3)4)13-24-25-21(28)15-7-6-8-17(27)9-15/h6-11,13-14,27H,5,12H2,1-4H3,(H,25,28)/b24-13+.
What are the key properties of N-[(E)-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide?
N-[(E)-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide has a molecular weight of 383.47 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-hydroxybenzamide is sourced from PubChem (CID 50861314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).