N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide

C30H22FN3O2 — CID 126052411

IUPACN-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESO=C(N/N=C\c1cccc(OCc2ccccc2F)c1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C30H22FN3O2/c31-27-15-6-4-12-23(27)20-36-24-13-8-9-21(17-24)19-32-34-30(35)26-18-29(22-10-2-1-3-11-22)33-28-16-7-5-14-25(26)28/h1-19H,20H2,(H,34,35)/b32-19-
InChIKeyQSLLVZGAZIHFIA-MZFJOGFUSA-N
MW475.52 g/mol
LogP6.38
Rot. Bonds7

About N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide

N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide (PubChem CID 126052411) has the molecular formula C30H22FN3O2 and a molecular weight of 475.52 g/mol. Its IUPAC name is N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
PubChem CID126052411
Molecular FormulaC30H22FN3O2
Molecular Weight475.52 g/mol
Exact Mass475.17
IUPAC NameN-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESO=C(N/N=C\c1cccc(OCc2ccccc2F)c1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C30H22FN3O2/c31-27-15-6-4-12-23(27)20-36-24-13-8-9-21(17-24)19-32-34-30(35)26-18-29(22-10-2-1-3-11-22)33-28-16-7-5-14-25(26)28/h1-19H,20H2,(H,34,35)/b32-19-
InChIKeyQSLLVZGAZIHFIA-MZFJOGFUSA-N
XLogP6.38
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.52
LogP ≤ 56.38
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-[(E)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126046797
N-[(E)-[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126042928
N-[(3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 4504168
N-[(3-phenoxyphenyl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 2348277
2-phenyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6879530
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 6008188
N-[(E)-(3-methoxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 18275081
N-[(E)-(3-chlorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 6884313
N-[(E)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110339422
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide
CID 5431086
N-[(Z)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126045670
N-[(E)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126049455

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide (CID 126052411) is N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide is O=C(N/N=C\c1cccc(OCc2ccccc2F)c1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide?
The InChIKey is QSLLVZGAZIHFIA-MZFJOGFUSA-N. The full InChI is InChI=1S/C30H22FN3O2/c31-27-15-6-4-12-23(27)20-36-24-13-8-9-21(17-24)19-32-34-30(35)26-18-29(22-10-2-1-3-11-22)33-28-16-7-5-14-25(26)28/h1-19H,20H2,(H,34,35)/b32-19-.
What are the key properties of N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide?
N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide has a molecular weight of 475.52 g/mol, XLogP of 6.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 126052411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).