N-[(Z)-(2-fluorophenyl)methylideneamino]quinoline-6-carboxamide

C17H12FN3O — CID 155530884

IUPACN-[(Z)-(2-fluorophenyl)methylideneamino]quinoline-6-carboxamide
SMILESO=C(N/N=C\c1ccccc1F)c1ccc2ncccc2c1
InChIInChI=1S/C17H12FN3O/c18-15-6-2-1-4-14(15)11-20-21-17(22)13-7-8-16-12(10-13)5-3-9-19-16/h1-11H,(H,21,22)/b20-11-
InChIKeyCBBKSFUSQQOPDU-JAIQZWGSSA-N
MW293.30 g/mol
LogP3.14
Rot. Bonds3

About N-[(Z)-(2-fluorophenyl)methylideneamino]quinoline-6-carboxamide

N-[(Z)-(2-fluorophenyl)methylideneamino]quinoline-6-carboxamide (PubChem CID 155530884) has the molecular formula C17H12FN3O and a molecular weight of 293.30 g/mol. Its IUPAC name is N-[(Z)-(2-fluorophenyl)methylideneamino]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-fluorophenyl)methylideneamino]quinoline-6-carboxamide
PubChem CID155530884
Molecular FormulaC17H12FN3O
Molecular Weight293.30 g/mol
Exact Mass293.10
IUPAC NameN-[(Z)-(2-fluorophenyl)methylideneamino]quinoline-6-carboxamide
SMILESO=C(N/N=C\c1ccccc1F)c1ccc2ncccc2c1
InChIInChI=1S/C17H12FN3O/c18-15-6-2-1-4-14(15)11-20-21-17(22)13-7-8-16-12(10-13)5-3-9-19-16/h1-11H,(H,21,22)/b20-11-
InChIKeyCBBKSFUSQQOPDU-JAIQZWGSSA-N
XLogP3.14
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-nitrophenyl)methylideneamino]quinoline-6-carboxamide
CID 155522498
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-6-carboxamide
CID 155558267
N-(1H-indol-3-ylmethylideneamino)quinoline-6-carboxamide
CID 1477968
4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide
CID 5333160
N-[(2-fluorophenyl)methylideneamino]pyridine-2-carboxamide
CID 847584
N-[(2,4,5-trifluorophenyl)methylideneamino]naphthalene-2-carboxamide
CID 6736199
2-benzyl-N-[(Z)-(2-fluorophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526607
N-[(E)-(2-hydroxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 135608250
N-[(E)-(2,4-difluorophenyl)methylideneamino]benzamide
CID 6909478
N-(3-bromo-4-fluorophenyl)quinoline-6-carboxamide
CID 115661425
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
N-[(2-fluorophenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide
CID 24789427

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-fluorophenyl)methylideneamino]quinoline-6-carboxamide?
The IUPAC name of N-[(Z)-(2-fluorophenyl)methylideneamino]quinoline-6-carboxamide (CID 155530884) is N-[(Z)-(2-fluorophenyl)methylideneamino]quinoline-6-carboxamide.
What is the SMILES notation for N-[(Z)-(2-fluorophenyl)methylideneamino]quinoline-6-carboxamide?
The canonical SMILES for N-[(Z)-(2-fluorophenyl)methylideneamino]quinoline-6-carboxamide is O=C(N/N=C\c1ccccc1F)c1ccc2ncccc2c1.
What is the InChIKey of N-[(Z)-(2-fluorophenyl)methylideneamino]quinoline-6-carboxamide?
The InChIKey is CBBKSFUSQQOPDU-JAIQZWGSSA-N. The full InChI is InChI=1S/C17H12FN3O/c18-15-6-2-1-4-14(15)11-20-21-17(22)13-7-8-16-12(10-13)5-3-9-19-16/h1-11H,(H,21,22)/b20-11-.
What are the key properties of N-[(Z)-(2-fluorophenyl)methylideneamino]quinoline-6-carboxamide?
N-[(Z)-(2-fluorophenyl)methylideneamino]quinoline-6-carboxamide has a molecular weight of 293.30 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-fluorophenyl)methylideneamino]quinoline-6-carboxamide is sourced from PubChem (CID 155530884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).