N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-4-ylquinazolin-4-amine

C21H15F2N5O — CID 3446041

IUPACN-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-4-ylquinazolin-4-amine
SMILESFC(F)Oc1ccc(C=NNc2nc(-c3ccncc3)nc3ccccc23)cc1
InChIInChI=1S/C21H15F2N5O/c22-21(23)29-16-7-5-14(6-8-16)13-25-28-20-17-3-1-2-4-18(17)26-19(27-20)15-9-11-24-12-10-15/h1-13,21H,(H,26,27,28)
InChIKeyGQEAQOXBSRWYGT-UHFFFAOYSA-N
MW391.38 g/mol
LogP4.74
Rot. Bonds6

About N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-4-ylquinazolin-4-amine

N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 3446041) has the molecular formula C21H15F2N5O and a molecular weight of 391.38 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-4-ylquinazolin-4-amine
PubChem CID3446041
Molecular FormulaC21H15F2N5O
Molecular Weight391.38 g/mol
Exact Mass391.12
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-4-ylquinazolin-4-amine
SMILESFC(F)Oc1ccc(C=NNc2nc(-c3ccncc3)nc3ccccc23)cc1
InChIInChI=1S/C21H15F2N5O/c22-21(23)29-16-7-5-14(6-8-16)13-25-28-20-17-3-1-2-4-18(17)26-19(27-20)15-9-11-24-12-10-15/h1-13,21H,(H,26,27,28)
InChIKeyGQEAQOXBSRWYGT-UHFFFAOYSA-N
XLogP4.74
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 54.74
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'}

Analyze N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-4-ylquinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinazolin-4-amine
CID 5339750
5,6-dimethyl-2-phenyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine
CID 2842106
N-(2,2-difluoroethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 166217645
2-(4-methylphenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]quinazolin-4-amine
CID 5339803
2-[[(2-phenylquinazolin-4-yl)hydrazinylidene]methyl]phenol
CID 4014004
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 3477696
2-(2-chlorophenyl)-N-[(4-chlorophenyl)methylideneamino]quinazolin-4-amine
CID 5160943
4-[(E)-[[2-(4-bromophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 135411545
4-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 135549541
N-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 121377208
6-methyl-2-phenyl-5-prop-2-enyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-4-amine
CID 3097719
2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]phenol
CID 135549514

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-4-ylquinazolin-4-amine (CID 3446041) is N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-4-ylquinazolin-4-amine is FC(F)Oc1ccc(C=NNc2nc(-c3ccncc3)nc3ccccc23)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is GQEAQOXBSRWYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N5O/c22-21(23)29-16-7-5-14(6-8-16)13-25-28-20-17-3-1-2-4-18(17)26-19(27-20)15-9-11-24-12-10-15/h1-13,21H,(H,26,27,28).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-4-ylquinazolin-4-amine?
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-4-ylquinazolin-4-amine has a molecular weight of 391.38 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 3446041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).