N,2-bis(2-fluorophenyl)quinazolin-4-amine

C20H13F2N3 — CID 757185

IUPACN,2-bis(2-fluorophenyl)quinazolin-4-amine
SMILESFc1ccccc1Nc1nc(-c2ccccc2F)nc2ccccc12
InChIInChI=1S/C20H13F2N3/c21-15-9-3-1-7-13(15)19-23-17-11-5-2-8-14(17)20(25-19)24-18-12-6-4-10-16(18)22/h1-12H,(H,23,24,25)
InChIKeyNEUZIDOIDDWKBH-UHFFFAOYSA-N
MW333.34 g/mol
LogP5.32
Rot. Bonds3

About N,2-bis(2-fluorophenyl)quinazolin-4-amine

N,2-bis(2-fluorophenyl)quinazolin-4-amine (PubChem CID 757185) has the molecular formula C20H13F2N3 and a molecular weight of 333.34 g/mol. Its IUPAC name is N,2-bis(2-fluorophenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN,2-bis(2-fluorophenyl)quinazolin-4-amine
PubChem CID757185
Molecular FormulaC20H13F2N3
Molecular Weight333.34 g/mol
Exact Mass333.11
IUPAC NameN,2-bis(2-fluorophenyl)quinazolin-4-amine
SMILESFc1ccccc1Nc1nc(-c2ccccc2F)nc2ccccc12
InChIInChI=1S/C20H13F2N3/c21-15-9-3-1-7-13(15)19-23-17-11-5-2-8-14(17)20(25-19)24-18-12-6-4-10-16(18)22/h1-12H,(H,23,24,25)
InChIKeyNEUZIDOIDDWKBH-UHFFFAOYSA-N
XLogP5.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.34
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-bis(2-fluorophenyl)quinazolin-4-amine?
The IUPAC name of N,2-bis(2-fluorophenyl)quinazolin-4-amine (CID 757185) is N,2-bis(2-fluorophenyl)quinazolin-4-amine.
What is the SMILES notation for N,2-bis(2-fluorophenyl)quinazolin-4-amine?
The canonical SMILES for N,2-bis(2-fluorophenyl)quinazolin-4-amine is Fc1ccccc1Nc1nc(-c2ccccc2F)nc2ccccc12.
What is the InChIKey of N,2-bis(2-fluorophenyl)quinazolin-4-amine?
The InChIKey is NEUZIDOIDDWKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3/c21-15-9-3-1-7-13(15)19-23-17-11-5-2-8-14(17)20(25-19)24-18-12-6-4-10-16(18)22/h1-12H,(H,23,24,25).
What are the key properties of N,2-bis(2-fluorophenyl)quinazolin-4-amine?
N,2-bis(2-fluorophenyl)quinazolin-4-amine has a molecular weight of 333.34 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis(2-fluorophenyl)quinazolin-4-amine is sourced from PubChem (CID 757185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).