8-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide

C18H14FN3O3 — CID 127048695

IUPAC8-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2c[nH]c3c(F)cccc3c2=O)cc1
InChIInChI=1S/C18H14FN3O3/c1-25-12-7-5-11(6-8-12)9-21-22-18(24)14-10-20-16-13(17(14)23)3-2-4-15(16)19/h2-10H,1H3,(H,20,23)(H,22,24)/b21-9+
InChIKeyXVMMKZDGNGMHGI-ZVBGSRNCSA-N
MW339.33 g/mol
LogP2.44
Rot. Bonds4

About 8-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide

8-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 127048695) has the molecular formula C18H14FN3O3 and a molecular weight of 339.33 g/mol. Its IUPAC name is 8-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name8-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID127048695
Molecular FormulaC18H14FN3O3
Molecular Weight339.33 g/mol
Exact Mass339.10
IUPAC Name8-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2c[nH]c3c(F)cccc3c2=O)cc1
InChIInChI=1S/C18H14FN3O3/c1-25-12-7-5-11(6-8-12)9-21-22-18(24)14-10-20-16-13(17(14)23)3-2-4-15(16)19/h2-10H,1H3,(H,20,23)(H,22,24)/b21-9+
InChIKeyXVMMKZDGNGMHGI-ZVBGSRNCSA-N
XLogP2.44
TPSA83.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 52.44
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 8-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 8-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide (CID 127048695) is 8-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 8-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 8-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide is COc1ccc(/C=N/NC(=O)c2c[nH]c3c(F)cccc3c2=O)cc1.
What is the InChIKey of 8-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is XVMMKZDGNGMHGI-ZVBGSRNCSA-N. The full InChI is InChI=1S/C18H14FN3O3/c1-25-12-7-5-11(6-8-12)9-21-22-18(24)14-10-20-16-13(17(14)23)3-2-4-15(16)19/h2-10H,1H3,(H,20,23)(H,22,24)/b21-9+.
What are the key properties of 8-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide?
8-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 339.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 127048695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).