1-[4-[2-[4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxyquinazolin-6-yl]oxyethyl]piperazin-1-yl]ethanone

C25H26FN5O4 — CID 10127970

IUPAC1-[4-[2-[4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxyquinazolin-6-yl]oxyethyl]piperazin-1-yl]ethanone
SMILESCOc1cc2ncnc(Oc3ccc4[nH]ccc4c3F)c2cc1OCCN1CCN(C(C)=O)CC1
InChIInChI=1S/C25H26FN5O4/c1-16(32)31-9-7-30(8-10-31)11-12-34-23-13-18-20(14-22(23)33-2)28-15-29-25(18)35-21-4-3-19-17(24(21)26)5-6-27-19/h3-6,13-15,27H,7-12H2,1-2H3
InChIKeyFTNOHNSLDNSJHO-UHFFFAOYSA-N
MW479.51 g/mol
LogP3.59
Rot. Bonds7

About 1-[4-[2-[4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxyquinazolin-6-yl]oxyethyl]piperazin-1-yl]ethanone

1-[4-[2-[4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxyquinazolin-6-yl]oxyethyl]piperazin-1-yl]ethanone (PubChem CID 10127970) has the molecular formula C25H26FN5O4 and a molecular weight of 479.51 g/mol. Its IUPAC name is 1-[4-[2-[4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxyquinazolin-6-yl]oxyethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxyquinazolin-6-yl]oxyethyl]piperazin-1-yl]ethanone
PubChem CID10127970
Molecular FormulaC25H26FN5O4
Molecular Weight479.51 g/mol
Exact Mass479.20
IUPAC Name1-[4-[2-[4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxyquinazolin-6-yl]oxyethyl]piperazin-1-yl]ethanone
SMILESCOc1cc2ncnc(Oc3ccc4[nH]ccc4c3F)c2cc1OCCN1CCN(C(C)=O)CC1
InChIInChI=1S/C25H26FN5O4/c1-16(32)31-9-7-30(8-10-31)11-12-34-23-13-18-20(14-22(23)33-2)28-15-29-25(18)35-21-4-3-19-17(24(21)26)5-6-27-19/h3-6,13-15,27H,7-12H2,1-2H3
InChIKeyFTNOHNSLDNSJHO-UHFFFAOYSA-N
XLogP3.59
TPSA92.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxyquinazolin-6-yl]oxyethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxyquinazolin-6-yl]oxyethyl]piperazin-1-yl]ethanone (CID 10127970) is 1-[4-[2-[4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxyquinazolin-6-yl]oxyethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxyquinazolin-6-yl]oxyethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxyquinazolin-6-yl]oxyethyl]piperazin-1-yl]ethanone is COc1cc2ncnc(Oc3ccc4[nH]ccc4c3F)c2cc1OCCN1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-[2-[4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxyquinazolin-6-yl]oxyethyl]piperazin-1-yl]ethanone?
The InChIKey is FTNOHNSLDNSJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O4/c1-16(32)31-9-7-30(8-10-31)11-12-34-23-13-18-20(14-22(23)33-2)28-15-29-25(18)35-21-4-3-19-17(24(21)26)5-6-27-19/h3-6,13-15,27H,7-12H2,1-2H3.
What are the key properties of 1-[4-[2-[4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxyquinazolin-6-yl]oxyethyl]piperazin-1-yl]ethanone?
1-[4-[2-[4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxyquinazolin-6-yl]oxyethyl]piperazin-1-yl]ethanone has a molecular weight of 479.51 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxyquinazolin-6-yl]oxyethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 10127970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).