N-[(E)-(4-fluorophenyl)methylideneamino]-2-pyridin-3-ylquinazolin-4-amine

C20H14FN5 — CID 6866505

IUPACN-[(E)-(4-fluorophenyl)methylideneamino]-2-pyridin-3-ylquinazolin-4-amine
SMILESFc1ccc(/C=N/Nc2nc(-c3cccnc3)nc3ccccc23)cc1
InChIInChI=1S/C20H14FN5/c21-16-9-7-14(8-10-16)12-23-26-20-17-5-1-2-6-18(17)24-19(25-20)15-4-3-11-22-13-15/h1-13H,(H,24,25,26)/b23-12+
InChIKeyCFRXOYUERWVQOJ-FSJBWODESA-N
MW343.37 g/mol
LogP4.28
Rot. Bonds4

About N-[(E)-(4-fluorophenyl)methylideneamino]-2-pyridin-3-ylquinazolin-4-amine

N-[(E)-(4-fluorophenyl)methylideneamino]-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 6866505) has the molecular formula C20H14FN5 and a molecular weight of 343.37 g/mol. Its IUPAC name is N-[(E)-(4-fluorophenyl)methylideneamino]-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(E)-(4-fluorophenyl)methylideneamino]-2-pyridin-3-ylquinazolin-4-amine
PubChem CID6866505
Molecular FormulaC20H14FN5
Molecular Weight343.37 g/mol
Exact Mass343.12
IUPAC NameN-[(E)-(4-fluorophenyl)methylideneamino]-2-pyridin-3-ylquinazolin-4-amine
SMILESFc1ccc(/C=N/Nc2nc(-c3cccnc3)nc3ccccc23)cc1
InChIInChI=1S/C20H14FN5/c21-16-9-7-14(8-10-16)12-23-26-20-17-5-1-2-6-18(17)24-19(25-20)15-4-3-11-22-13-15/h1-13H,(H,24,25,26)/b23-12+
InChIKeyCFRXOYUERWVQOJ-FSJBWODESA-N
XLogP4.28
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 54.28
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-fluorophenyl)methylideneamino]-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-[(E)-(4-fluorophenyl)methylideneamino]-2-pyridin-3-ylquinazolin-4-amine (CID 6866505) is N-[(E)-(4-fluorophenyl)methylideneamino]-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-[(E)-(4-fluorophenyl)methylideneamino]-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-[(E)-(4-fluorophenyl)methylideneamino]-2-pyridin-3-ylquinazolin-4-amine is Fc1ccc(/C=N/Nc2nc(-c3cccnc3)nc3ccccc23)cc1.
What is the InChIKey of N-[(E)-(4-fluorophenyl)methylideneamino]-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is CFRXOYUERWVQOJ-FSJBWODESA-N. The full InChI is InChI=1S/C20H14FN5/c21-16-9-7-14(8-10-16)12-23-26-20-17-5-1-2-6-18(17)24-19(25-20)15-4-3-11-22-13-15/h1-13H,(H,24,25,26)/b23-12+.
What are the key properties of N-[(E)-(4-fluorophenyl)methylideneamino]-2-pyridin-3-ylquinazolin-4-amine?
N-[(E)-(4-fluorophenyl)methylideneamino]-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 343.37 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-fluorophenyl)methylideneamino]-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 6866505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).