2-[2-(4-fluoro-2-methylanilino)-4-(N-methylanilino)quinazolin-8-yl]oxyethanol

C24H23FN4O2 — CID 10319855

IUPAC2-[2-(4-fluoro-2-methylanilino)-4-(N-methylanilino)quinazolin-8-yl]oxyethanol
SMILESCc1cc(F)ccc1Nc1nc(N(C)c2ccccc2)c2cccc(OCCO)c2n1
InChIInChI=1S/C24H23FN4O2/c1-16-15-17(25)11-12-20(16)26-24-27-22-19(9-6-10-21(22)31-14-13-30)23(28-24)29(2)18-7-4-3-5-8-18/h3-12,15,30H,13-14H2,1-2H3,(H,26,27,28)
InChIKeyONYBTOHSSKYVDS-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.96
Rot. Bonds7

About 2-[2-(4-fluoro-2-methylanilino)-4-(N-methylanilino)quinazolin-8-yl]oxyethanol

2-[2-(4-fluoro-2-methylanilino)-4-(N-methylanilino)quinazolin-8-yl]oxyethanol (PubChem CID 10319855) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 2-[2-(4-fluoro-2-methylanilino)-4-(N-methylanilino)quinazolin-8-yl]oxyethanol.

Molecular Properties

Compound Name2-[2-(4-fluoro-2-methylanilino)-4-(N-methylanilino)quinazolin-8-yl]oxyethanol
PubChem CID10319855
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name2-[2-(4-fluoro-2-methylanilino)-4-(N-methylanilino)quinazolin-8-yl]oxyethanol
SMILESCc1cc(F)ccc1Nc1nc(N(C)c2ccccc2)c2cccc(OCCO)c2n1
InChIInChI=1S/C24H23FN4O2/c1-16-15-17(25)11-12-20(16)26-24-27-22-19(9-6-10-21(22)31-14-13-30)23(28-24)29(2)18-7-4-3-5-8-18/h3-12,15,30H,13-14H2,1-2H3,(H,26,27,28)
InChIKeyONYBTOHSSKYVDS-UHFFFAOYSA-N
XLogP4.96
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoro-2-methylanilino)-4-(N-methylanilino)quinazolin-8-yl]oxyethanol?
The IUPAC name of 2-[2-(4-fluoro-2-methylanilino)-4-(N-methylanilino)quinazolin-8-yl]oxyethanol (CID 10319855) is 2-[2-(4-fluoro-2-methylanilino)-4-(N-methylanilino)quinazolin-8-yl]oxyethanol.
What is the SMILES notation for 2-[2-(4-fluoro-2-methylanilino)-4-(N-methylanilino)quinazolin-8-yl]oxyethanol?
The canonical SMILES for 2-[2-(4-fluoro-2-methylanilino)-4-(N-methylanilino)quinazolin-8-yl]oxyethanol is Cc1cc(F)ccc1Nc1nc(N(C)c2ccccc2)c2cccc(OCCO)c2n1.
What is the InChIKey of 2-[2-(4-fluoro-2-methylanilino)-4-(N-methylanilino)quinazolin-8-yl]oxyethanol?
The InChIKey is ONYBTOHSSKYVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-16-15-17(25)11-12-20(16)26-24-27-22-19(9-6-10-21(22)31-14-13-30)23(28-24)29(2)18-7-4-3-5-8-18/h3-12,15,30H,13-14H2,1-2H3,(H,26,27,28).
What are the key properties of 2-[2-(4-fluoro-2-methylanilino)-4-(N-methylanilino)quinazolin-8-yl]oxyethanol?
2-[2-(4-fluoro-2-methylanilino)-4-(N-methylanilino)quinazolin-8-yl]oxyethanol has a molecular weight of 418.47 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoro-2-methylanilino)-4-(N-methylanilino)quinazolin-8-yl]oxyethanol is sourced from PubChem (CID 10319855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).