N-[(Z)-1-(4-fluorophenyl)propylideneamino]quinoline-2-carboxamide

C19H16FN3O — CID 29223067

IUPACN-[(Z)-1-(4-fluorophenyl)propylideneamino]quinoline-2-carboxamide
SMILESCC/C(=N/NC(=O)c1ccc2ccccc2n1)c1ccc(F)cc1
InChIInChI=1S/C19H16FN3O/c1-2-16(14-7-10-15(20)11-8-14)22-23-19(24)18-12-9-13-5-3-4-6-17(13)21-18/h3-12H,2H2,1H3,(H,23,24)/b22-16-
InChIKeyBGUCGAOUTSWJFW-JWGURIENSA-N
MW321.36 g/mol
LogP3.92
Rot. Bonds4

About N-[(Z)-1-(4-fluorophenyl)propylideneamino]quinoline-2-carboxamide

N-[(Z)-1-(4-fluorophenyl)propylideneamino]quinoline-2-carboxamide (PubChem CID 29223067) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is N-[(Z)-1-(4-fluorophenyl)propylideneamino]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-fluorophenyl)propylideneamino]quinoline-2-carboxamide
PubChem CID29223067
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC NameN-[(Z)-1-(4-fluorophenyl)propylideneamino]quinoline-2-carboxamide
SMILESCC/C(=N/NC(=O)c1ccc2ccccc2n1)c1ccc(F)cc1
InChIInChI=1S/C19H16FN3O/c1-2-16(14-7-10-15(20)11-8-14)22-23-19(24)18-12-9-13-5-3-4-6-17(13)21-18/h3-12H,2H2,1H3,(H,23,24)/b22-16-
InChIKeyBGUCGAOUTSWJFW-JWGURIENSA-N
XLogP3.92
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.92
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'-(4-fluorobenzoyl)quinoline-2-carbohydrazide
CID 7779547
N-[(E)-1-(4-aminophenyl)ethylideneamino]quinoline-2-carboxamide
CID 97186271
(2E)-2-(quinoline-2-carbonylhydrazinylidene)pentanedioate
CID 7789598
N'-[(Z)-1-(4-fluorophenyl)propylideneamino]oxamide
CID 7612689
N-[(E)-1-(4-fluorophenyl)propylideneamino]-2-pyrrol-1-ylbenzamide
CID 16555755
2-fluoro-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135609434
2-(4-fluorophenyl)-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 7428677
N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]quinoline-2-carboxamide
CID 46803724
N-[1-(4-hydroxyphenyl)propylideneamino]naphthalene-1-carboxamide
CID 903928
4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4622646
2-fluoro-N-(1-phenylpropylideneamino)benzamide
CID 4162373
4-ethyl-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135673772

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-fluorophenyl)propylideneamino]quinoline-2-carboxamide?
The IUPAC name of N-[(Z)-1-(4-fluorophenyl)propylideneamino]quinoline-2-carboxamide (CID 29223067) is N-[(Z)-1-(4-fluorophenyl)propylideneamino]quinoline-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-(4-fluorophenyl)propylideneamino]quinoline-2-carboxamide?
The canonical SMILES for N-[(Z)-1-(4-fluorophenyl)propylideneamino]quinoline-2-carboxamide is CC/C(=N/NC(=O)c1ccc2ccccc2n1)c1ccc(F)cc1.
What is the InChIKey of N-[(Z)-1-(4-fluorophenyl)propylideneamino]quinoline-2-carboxamide?
The InChIKey is BGUCGAOUTSWJFW-JWGURIENSA-N. The full InChI is InChI=1S/C19H16FN3O/c1-2-16(14-7-10-15(20)11-8-14)22-23-19(24)18-12-9-13-5-3-4-6-17(13)21-18/h3-12H,2H2,1H3,(H,23,24)/b22-16-.
What are the key properties of N-[(Z)-1-(4-fluorophenyl)propylideneamino]quinoline-2-carboxamide?
N-[(Z)-1-(4-fluorophenyl)propylideneamino]quinoline-2-carboxamide has a molecular weight of 321.36 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-fluorophenyl)propylideneamino]quinoline-2-carboxamide is sourced from PubChem (CID 29223067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).