N-(3-chloro-4-fluorophenyl)-6-(1H-imidazol-5-yl)quinazolin-4-amine

C17H11ClFN5 — CID 22478377

IUPACN-(3-chloro-4-fluorophenyl)-6-(1H-imidazol-5-yl)quinazolin-4-amine
SMILESFc1ccc(Nc2ncnc3ccc(-c4cnc[nH]4)cc23)cc1Cl
InChIInChI=1S/C17H11ClFN5/c18-13-6-11(2-3-14(13)19)24-17-12-5-10(16-7-20-8-21-16)1-4-15(12)22-9-23-17/h1-9H,(H,20,21)(H,22,23,24)
InChIKeyFLGKWANNJPIOMT-UHFFFAOYSA-N
MW339.76 g/mol
LogP4.56
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-6-(1H-imidazol-5-yl)quinazolin-4-amine

N-(3-chloro-4-fluorophenyl)-6-(1H-imidazol-5-yl)quinazolin-4-amine (PubChem CID 22478377) has the molecular formula C17H11ClFN5 and a molecular weight of 339.76 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-(1H-imidazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-(1H-imidazol-5-yl)quinazolin-4-amine
PubChem CID22478377
Molecular FormulaC17H11ClFN5
Molecular Weight339.76 g/mol
Exact Mass339.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-(1H-imidazol-5-yl)quinazolin-4-amine
SMILESFc1ccc(Nc2ncnc3ccc(-c4cnc[nH]4)cc23)cc1Cl
InChIInChI=1S/C17H11ClFN5/c18-13-6-11(2-3-14(13)19)24-17-12-5-10(16-7-20-8-21-16)1-4-15(12)22-9-23-17/h1-9H,(H,20,21)(H,22,23,24)
InChIKeyFLGKWANNJPIOMT-UHFFFAOYSA-N
XLogP4.56
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.76
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(1H-imidazol-5-yl)quinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(1H-imidazol-5-yl)quinazolin-4-amine (CID 22478377) is N-(3-chloro-4-fluorophenyl)-6-(1H-imidazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-(1H-imidazol-5-yl)quinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-(1H-imidazol-5-yl)quinazolin-4-amine is Fc1ccc(Nc2ncnc3ccc(-c4cnc[nH]4)cc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-(1H-imidazol-5-yl)quinazolin-4-amine?
The InChIKey is FLGKWANNJPIOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN5/c18-13-6-11(2-3-14(13)19)24-17-12-5-10(16-7-20-8-21-16)1-4-15(12)22-9-23-17/h1-9H,(H,20,21)(H,22,23,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-(1H-imidazol-5-yl)quinazolin-4-amine?
N-(3-chloro-4-fluorophenyl)-6-(1H-imidazol-5-yl)quinazolin-4-amine has a molecular weight of 339.76 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-(1H-imidazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 22478377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).