N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(trifluoromethyl)quinazolin-4-amine

C19H17F3N4O2 — CID 8982089

IUPACN-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(trifluoromethyl)quinazolin-4-amine
SMILESCOc1ccc(/C(C)=N\Nc2nc(C(F)(F)F)nc3ccccc23)c(OC)c1
InChIInChI=1S/C19H17F3N4O2/c1-11(13-9-8-12(27-2)10-16(13)28-3)25-26-17-14-6-4-5-7-15(14)23-18(24-17)19(20,21)22/h4-10H,1-3H3,(H,23,24,26)/b25-11-
InChIKeyGKBXAWOFMRQWJO-GATIEOLUSA-N
MW390.37 g/mol
LogP4.50
Rot. Bonds5

About N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(trifluoromethyl)quinazolin-4-amine

N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 8982089) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID8982089
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC NameN-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(trifluoromethyl)quinazolin-4-amine
SMILESCOc1ccc(/C(C)=N\Nc2nc(C(F)(F)F)nc3ccccc23)c(OC)c1
InChIInChI=1S/C19H17F3N4O2/c1-11(13-9-8-12(27-2)10-16(13)28-3)25-26-17-14-6-4-5-7-15(14)23-18(24-17)19(20,21)22/h4-10H,1-3H3,(H,23,24,26)/b25-11-
InChIKeyGKBXAWOFMRQWJO-GATIEOLUSA-N
XLogP4.50
TPSA68.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

5-methoxy-2-[(E)-C-methyl-N-[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbonimidoyl]phenol
CID 135846545
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-1H-benzimidazol-2-amine
CID 7912538
3-methyl-4-[(Z)-C-methyl-N-[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbonimidoyl]-1,2-thiazol-5-amine
CID 9396989
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-methylquinazolin-4-amine
CID 59846655
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(trifluoromethyl)quinazolin-4-amine
CID 8982230
2-bromo-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]aniline
CID 2827315
1-(4-methoxyphenyl)-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]urea
CID 59081814
7-methoxy-N-(2-phenylethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003694
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(2-fluorophenyl)quinazolin-4-amine
CID 6062421
1-(2,4-dimethoxyphenyl)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]ethanimine
CID 1032559
2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol
CID 110433067
5-methoxy-2-[(E)-C-methyl-N-[2-(trifluoromethyl)anilino]carbonimidoyl]phenol
CID 135614035

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(trifluoromethyl)quinazolin-4-amine (CID 8982089) is N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(trifluoromethyl)quinazolin-4-amine is COc1ccc(/C(C)=N\Nc2nc(C(F)(F)F)nc3ccccc23)c(OC)c1.
What is the InChIKey of N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is GKBXAWOFMRQWJO-GATIEOLUSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-11(13-9-8-12(27-2)10-16(13)28-3)25-26-17-14-6-4-5-7-15(14)23-18(24-17)19(20,21)22/h4-10H,1-3H3,(H,23,24,26)/b25-11-.
What are the key properties of N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(trifluoromethyl)quinazolin-4-amine?
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 390.37 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 8982089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).