6-(4-fluorophenyl)-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine

C24H22FN3O — CID 67605236

IUPAC6-(4-fluorophenyl)-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine
SMILESCOCc1ccccc1CCNc1ncnc2ccc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C24H22FN3O/c1-29-15-20-5-3-2-4-17(20)12-13-26-24-22-14-19(8-11-23(22)27-16-28-24)18-6-9-21(25)10-7-18/h2-11,14,16H,12-13,15H2,1H3,(H,26,27,28)
InChIKeyYSEMOVUKKYJROI-UHFFFAOYSA-N
MW387.46 g/mol
LogP5.24
Rot. Bonds7

About 6-(4-fluorophenyl)-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine

6-(4-fluorophenyl)-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine (PubChem CID 67605236) has the molecular formula C24H22FN3O and a molecular weight of 387.46 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine
PubChem CID67605236
Molecular FormulaC24H22FN3O
Molecular Weight387.46 g/mol
Exact Mass387.17
IUPAC Name6-(4-fluorophenyl)-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine
SMILESCOCc1ccccc1CCNc1ncnc2ccc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C24H22FN3O/c1-29-15-20-5-3-2-4-17(20)12-13-26-24-22-14-19(8-11-23(22)27-16-28-24)18-6-9-21(25)10-7-18/h2-11,14,16H,12-13,15H2,1H3,(H,26,27,28)
InChIKeyYSEMOVUKKYJROI-UHFFFAOYSA-N
XLogP5.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.46
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine?
The IUPAC name of 6-(4-fluorophenyl)-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine (CID 67605236) is 6-(4-fluorophenyl)-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine?
The canonical SMILES for 6-(4-fluorophenyl)-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine is COCc1ccccc1CCNc1ncnc2ccc(-c3ccc(F)cc3)cc12.
What is the InChIKey of 6-(4-fluorophenyl)-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine?
The InChIKey is YSEMOVUKKYJROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O/c1-29-15-20-5-3-2-4-17(20)12-13-26-24-22-14-19(8-11-23(22)27-16-28-24)18-6-9-21(25)10-7-18/h2-11,14,16H,12-13,15H2,1H3,(H,26,27,28).
What are the key properties of 6-(4-fluorophenyl)-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine?
6-(4-fluorophenyl)-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine has a molecular weight of 387.46 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 67605236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).