N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(trifluoromethyl)quinazolin-4-amine

C17H12F4N4O — CID 8982230

IUPACN-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(trifluoromethyl)quinazolin-4-amine
SMILESCOc1ccc(/C=N\Nc2nc(C(F)(F)F)nc3ccccc23)cc1F
InChIInChI=1S/C17H12F4N4O/c1-26-14-7-6-10(8-12(14)18)9-22-25-15-11-4-2-3-5-13(11)23-16(24-15)17(19,20)21/h2-9H,1H3,(H,23,24,25)/b22-9-
InChIKeyDRWGVQIKJZFJRD-AFPJDJCSSA-N
MW364.30 g/mol
LogP4.24
Rot. Bonds4

About N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(trifluoromethyl)quinazolin-4-amine

N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 8982230) has the molecular formula C17H12F4N4O and a molecular weight of 364.30 g/mol. Its IUPAC name is N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID8982230
Molecular FormulaC17H12F4N4O
Molecular Weight364.30 g/mol
Exact Mass364.09
IUPAC NameN-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(trifluoromethyl)quinazolin-4-amine
SMILESCOc1ccc(/C=N\Nc2nc(C(F)(F)F)nc3ccccc23)cc1F
InChIInChI=1S/C17H12F4N4O/c1-26-14-7-6-10(8-12(14)18)9-22-25-15-11-4-2-3-5-13(11)23-16(24-15)17(19,20)21/h2-9H,1H3,(H,23,24,25)/b22-9-
InChIKeyDRWGVQIKJZFJRD-AFPJDJCSSA-N
XLogP4.24
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.30
LogP ≤ 54.24
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-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]-2-(trifluoromethyl)quinazolin-4-amine
CID 135729379
N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(trichloromethyl)quinazolin-4-amine
CID 21234889
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(trifluoromethyl)quinazolin-4-amine
CID 8982089
4-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 135549541
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 8973347
2-[(2Z)-2-[(3-fluoro-4-methoxyphenyl)methylidene]hydrazinyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one
CID 8984155
4-methoxy-3-[2-(trifluoromethyl)quinazolin-4-yl]oxybenzaldehyde
CID 9451224
4-[(E)-[[2-(4-bromophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 135411545
3-chloro-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]aniline
CID 8972803
N-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 32677860
5-methoxy-2-[(E)-C-methyl-N-[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbonimidoyl]phenol
CID 135846545
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinazolin-4-amine
CID 5339750

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(trifluoromethyl)quinazolin-4-amine (CID 8982230) is N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(trifluoromethyl)quinazolin-4-amine is COc1ccc(/C=N\Nc2nc(C(F)(F)F)nc3ccccc23)cc1F.
What is the InChIKey of N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is DRWGVQIKJZFJRD-AFPJDJCSSA-N. The full InChI is InChI=1S/C17H12F4N4O/c1-26-14-7-6-10(8-12(14)18)9-22-25-15-11-4-2-3-5-13(11)23-16(24-15)17(19,20)21/h2-9H,1H3,(H,23,24,25)/b22-9-.
What are the key properties of N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(trifluoromethyl)quinazolin-4-amine?
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 364.30 g/mol, XLogP of 4.24, 4 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-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 8982230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).