N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide

C23H17FN4O2 — CID 8973347

IUPACN-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1F
InChIInChI=1S/C23H17FN4O2/c1-30-22-10-9-15(12-18(22)24)14-26-28-23(29)17-13-21(20-8-4-5-11-25-20)27-19-7-3-2-6-16(17)19/h2-14H,1H3,(H,28,29)/b26-14-
InChIKeyPUMIPPRZKHIFKS-WGARJPEWSA-N
MW400.41 g/mol
LogP4.21
Rot. Bonds5

About N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide

N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 8973347) has the molecular formula C23H17FN4O2 and a molecular weight of 400.41 g/mol. Its IUPAC name is N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID8973347
Molecular FormulaC23H17FN4O2
Molecular Weight400.41 g/mol
Exact Mass400.13
IUPAC NameN-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1F
InChIInChI=1S/C23H17FN4O2/c1-30-22-10-9-15(12-18(22)24)14-26-28-23(29)17-13-21(20-8-4-5-11-25-20)27-19-7-3-2-6-16(17)19/h2-14H,1H3,(H,28,29)/b26-14-
InChIKeyPUMIPPRZKHIFKS-WGARJPEWSA-N
XLogP4.21
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-(3,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 135730571
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 9078735
N-[(E)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126046797
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 2327017
N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 9078656
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide
CID 6873433
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 6873349
2-(2-hydroxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 4505035
2-(4-fluorophenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 42991492
2-(furan-2-yl)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 9214487
ethyl 2-[2-methoxy-4-[(E)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
CID 126045980
2-(2-ethoxyphenyl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135801083

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide (CID 8973347) is N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide is COc1ccc(/C=N\NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1F.
What is the InChIKey of N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is PUMIPPRZKHIFKS-WGARJPEWSA-N. The full InChI is InChI=1S/C23H17FN4O2/c1-30-22-10-9-15(12-18(22)24)14-26-28-23(29)17-13-21(20-8-4-5-11-25-20)27-19-7-3-2-6-16(17)19/h2-14H,1H3,(H,28,29)/b26-14-.
What are the key properties of N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide?
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 400.41 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 8973347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).