N-(3-fluorophenyl)-7-piperazin-1-yloxy-6-pyridin-2-ylquinazolin-2-amine

C23H21FN6O — CID 59325534

IUPACN-(3-fluorophenyl)-7-piperazin-1-yloxy-6-pyridin-2-ylquinazolin-2-amine
SMILESFc1cccc(Nc2ncc3cc(-c4ccccn4)c(ON4CCNCC4)cc3n2)c1
InChIInChI=1S/C23H21FN6O/c24-17-4-3-5-18(13-17)28-23-27-15-16-12-19(20-6-1-2-7-26-20)22(14-21(16)29-23)31-30-10-8-25-9-11-30/h1-7,12-15,25H,8-11H2,(H,27,28,29)
InChIKeyIIAUSTCMBGNCJU-UHFFFAOYSA-N
MW416.46 g/mol
LogP3.77
Rot. Bonds5

About N-(3-fluorophenyl)-7-piperazin-1-yloxy-6-pyridin-2-ylquinazolin-2-amine

N-(3-fluorophenyl)-7-piperazin-1-yloxy-6-pyridin-2-ylquinazolin-2-amine (PubChem CID 59325534) has the molecular formula C23H21FN6O and a molecular weight of 416.46 g/mol. Its IUPAC name is N-(3-fluorophenyl)-7-piperazin-1-yloxy-6-pyridin-2-ylquinazolin-2-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-7-piperazin-1-yloxy-6-pyridin-2-ylquinazolin-2-amine
PubChem CID59325534
Molecular FormulaC23H21FN6O
Molecular Weight416.46 g/mol
Exact Mass416.18
IUPAC NameN-(3-fluorophenyl)-7-piperazin-1-yloxy-6-pyridin-2-ylquinazolin-2-amine
SMILESFc1cccc(Nc2ncc3cc(-c4ccccn4)c(ON4CCNCC4)cc3n2)c1
InChIInChI=1S/C23H21FN6O/c24-17-4-3-5-18(13-17)28-23-27-15-16-12-19(20-6-1-2-7-26-20)22(14-21(16)29-23)31-30-10-8-25-9-11-30/h1-7,12-15,25H,8-11H2,(H,27,28,29)
InChIKeyIIAUSTCMBGNCJU-UHFFFAOYSA-N
XLogP3.77
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-7-piperazin-1-yloxy-6-pyridin-2-ylquinazolin-2-amine?
The IUPAC name of N-(3-fluorophenyl)-7-piperazin-1-yloxy-6-pyridin-2-ylquinazolin-2-amine (CID 59325534) is N-(3-fluorophenyl)-7-piperazin-1-yloxy-6-pyridin-2-ylquinazolin-2-amine.
What is the SMILES notation for N-(3-fluorophenyl)-7-piperazin-1-yloxy-6-pyridin-2-ylquinazolin-2-amine?
The canonical SMILES for N-(3-fluorophenyl)-7-piperazin-1-yloxy-6-pyridin-2-ylquinazolin-2-amine is Fc1cccc(Nc2ncc3cc(-c4ccccn4)c(ON4CCNCC4)cc3n2)c1.
What is the InChIKey of N-(3-fluorophenyl)-7-piperazin-1-yloxy-6-pyridin-2-ylquinazolin-2-amine?
The InChIKey is IIAUSTCMBGNCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O/c24-17-4-3-5-18(13-17)28-23-27-15-16-12-19(20-6-1-2-7-26-20)22(14-21(16)29-23)31-30-10-8-25-9-11-30/h1-7,12-15,25H,8-11H2,(H,27,28,29).
What are the key properties of N-(3-fluorophenyl)-7-piperazin-1-yloxy-6-pyridin-2-ylquinazolin-2-amine?
N-(3-fluorophenyl)-7-piperazin-1-yloxy-6-pyridin-2-ylquinazolin-2-amine has a molecular weight of 416.46 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-7-piperazin-1-yloxy-6-pyridin-2-ylquinazolin-2-amine is sourced from PubChem (CID 59325534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).