N-[4-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine

C23H19FN4O — CID 85109467

IUPACN-[4-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine
SMILESCC(=NOCc1ccc(F)cc1)c1ccc(Nc2ncnc3ccccc23)cc1
InChIInChI=1S/C23H19FN4O/c1-16(28-29-14-17-6-10-19(24)11-7-17)18-8-12-20(13-9-18)27-23-21-4-2-3-5-22(21)25-15-26-23/h2-13,15H,14H2,1H3,(H,25,26,27)
InChIKeySLJROTXFVJAJLE-UHFFFAOYSA-N
MW386.43 g/mol
LogP5.45
Rot. Bonds6

About N-[4-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine

N-[4-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine (PubChem CID 85109467) has the molecular formula C23H19FN4O and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[4-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[4-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine
PubChem CID85109467
Molecular FormulaC23H19FN4O
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC NameN-[4-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine
SMILESCC(=NOCc1ccc(F)cc1)c1ccc(Nc2ncnc3ccccc23)cc1
InChIInChI=1S/C23H19FN4O/c1-16(28-29-14-17-6-10-19(24)11-7-17)18-8-12-20(13-9-18)27-23-21-4-2-3-5-22(21)25-15-26-23/h2-13,15H,14H2,1H3,(H,25,26,27)
InChIKeySLJROTXFVJAJLE-UHFFFAOYSA-N
XLogP5.45
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.43
LogP ≤ 55.45
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'}

Analyze N-[4-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-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

Frequently Asked Questions

What is the IUPAC name of N-[4-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine?
The IUPAC name of N-[4-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine (CID 85109467) is N-[4-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine.
What is the SMILES notation for N-[4-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine?
The canonical SMILES for N-[4-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine is CC(=NOCc1ccc(F)cc1)c1ccc(Nc2ncnc3ccccc23)cc1.
What is the InChIKey of N-[4-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine?
The InChIKey is SLJROTXFVJAJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O/c1-16(28-29-14-17-6-10-19(24)11-7-17)18-8-12-20(13-9-18)27-23-21-4-2-3-5-22(21)25-15-26-23/h2-13,15H,14H2,1H3,(H,25,26,27).
What are the key properties of N-[4-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine?
N-[4-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine has a molecular weight of 386.43 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine is sourced from PubChem (CID 85109467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).