2-(2-chlorophenyl)-N-[(2-fluorophenyl)methylideneamino]quinazolin-4-amine

C21H14ClFN4 — CID 3764445

IUPAC2-(2-chlorophenyl)-N-[(2-fluorophenyl)methylideneamino]quinazolin-4-amine
SMILESFc1ccccc1C=NNc1nc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C21H14ClFN4/c22-17-10-4-2-8-15(17)20-25-19-12-6-3-9-16(19)21(26-20)27-24-13-14-7-1-5-11-18(14)23/h1-13H,(H,25,26,27)
InChIKeyODMWNRZFKSSIHJ-UHFFFAOYSA-N
MW376.82 g/mol
LogP5.54
Rot. Bonds4

About 2-(2-chlorophenyl)-N-[(2-fluorophenyl)methylideneamino]quinazolin-4-amine

2-(2-chlorophenyl)-N-[(2-fluorophenyl)methylideneamino]quinazolin-4-amine (PubChem CID 3764445) has the molecular formula C21H14ClFN4 and a molecular weight of 376.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[(2-fluorophenyl)methylideneamino]quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[(2-fluorophenyl)methylideneamino]quinazolin-4-amine
PubChem CID3764445
Molecular FormulaC21H14ClFN4
Molecular Weight376.82 g/mol
Exact Mass376.09
IUPAC Name2-(2-chlorophenyl)-N-[(2-fluorophenyl)methylideneamino]quinazolin-4-amine
SMILESFc1ccccc1C=NNc1nc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C21H14ClFN4/c22-17-10-4-2-8-15(17)20-25-19-12-6-3-9-16(19)21(26-20)27-24-13-14-7-1-5-11-18(14)23/h1-13H,(H,25,26,27)
InChIKeyODMWNRZFKSSIHJ-UHFFFAOYSA-N
XLogP5.54
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.82
LogP ≤ 55.54
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[(2-fluorophenyl)methylideneamino]quinazolin-4-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-[(2-fluorophenyl)methylideneamino]quinazolin-4-amine (CID 3764445) is 2-(2-chlorophenyl)-N-[(2-fluorophenyl)methylideneamino]quinazolin-4-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[(2-fluorophenyl)methylideneamino]quinazolin-4-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-[(2-fluorophenyl)methylideneamino]quinazolin-4-amine is Fc1ccccc1C=NNc1nc(-c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of 2-(2-chlorophenyl)-N-[(2-fluorophenyl)methylideneamino]quinazolin-4-amine?
The InChIKey is ODMWNRZFKSSIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN4/c22-17-10-4-2-8-15(17)20-25-19-12-6-3-9-16(19)21(26-20)27-24-13-14-7-1-5-11-18(14)23/h1-13H,(H,25,26,27).
What are the key properties of 2-(2-chlorophenyl)-N-[(2-fluorophenyl)methylideneamino]quinazolin-4-amine?
2-(2-chlorophenyl)-N-[(2-fluorophenyl)methylideneamino]quinazolin-4-amine has a molecular weight of 376.82 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[(2-fluorophenyl)methylideneamino]quinazolin-4-amine is sourced from PubChem (CID 3764445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).