N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-2-(4-fluorophenoxy)acetamide

C17H16FN3O2 — CID 162738460

IUPACN-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)N/N=C1\CCCc2cccnc21
InChIInChI=1S/C17H16FN3O2/c18-13-6-8-14(9-7-13)23-11-16(22)21-20-15-5-1-3-12-4-2-10-19-17(12)15/h2,4,6-10H,1,3,5,11H2,(H,21,22)/b20-15+
InChIKeyFITHJRPXDFFZIT-HMMYKYKNSA-N
MW313.33 g/mol
LogP2.46
Rot. Bonds4

About N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-2-(4-fluorophenoxy)acetamide

N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-2-(4-fluorophenoxy)acetamide (PubChem CID 162738460) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-2-(4-fluorophenoxy)acetamide
PubChem CID162738460
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC NameN-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)N/N=C1\CCCc2cccnc21
InChIInChI=1S/C17H16FN3O2/c18-13-6-8-14(9-7-13)23-11-16(22)21-20-15-5-1-3-12-4-2-10-19-17(12)15/h2,4,6-10H,1,3,5,11H2,(H,21,22)/b20-15+
InChIKeyFITHJRPXDFFZIT-HMMYKYKNSA-N
XLogP2.46
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.46
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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Related Compounds

N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-(4-fluorophenoxy)acetamide
CID 6035258
N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-4-methoxybenzamide
CID 164702540
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide
CID 5191870
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-naphthalen-2-yloxyacetamide
CID 968751
2-(4-fluorophenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
CID 6089555
2-(4-bromo-3-methylphenoxy)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide
CID 6528002
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(3-methylphenoxy)acetamide
CID 968541
(Z)-3-amino-2-aminosulfanyl-N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]but-2-enamide
CID 162738337
2-(4-fluorophenoxy)-N-quinolin-8-ylacetamide
CID 17443973
2-(4-tert-butylphenoxy)-N-[(Z)-2,3-dihydroinden-1-ylideneamino]acetamide
CID 7929753
3-[[2-(4-fluorophenoxy)acetyl]amino]pyridine-2-carboxylic acid
CID 104739937
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-propan-2-ylphenoxy)acetamide
CID 922588

Frequently Asked Questions

What is the IUPAC name of N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-2-(4-fluorophenoxy)acetamide (CID 162738460) is N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-2-(4-fluorophenoxy)acetamide is O=C(COc1ccc(F)cc1)N/N=C1\CCCc2cccnc21.
What is the InChIKey of N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-2-(4-fluorophenoxy)acetamide?
The InChIKey is FITHJRPXDFFZIT-HMMYKYKNSA-N. The full InChI is InChI=1S/C17H16FN3O2/c18-13-6-8-14(9-7-13)23-11-16(22)21-20-15-5-1-3-12-4-2-10-19-17(12)15/h2,4,6-10H,1,3,5,11H2,(H,21,22)/b20-15+.
What are the key properties of N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-2-(4-fluorophenoxy)acetamide?
N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-2-(4-fluorophenoxy)acetamide has a molecular weight of 313.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 162738460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).