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

C28H32FN5O5 — CID 10128726

IUPAC1-[4-[2-[2-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxyethoxy]ethyl]piperazin-1-yl]ethanone
SMILESCOc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCOCCN1CCN(C(C)=O)CC1
InChIInChI=1S/C28H32FN5O5/c1-18-14-20-22(32-18)4-5-24(27(20)29)39-28-21-15-25(36-3)26(16-23(21)30-17-31-28)38-13-12-37-11-10-33-6-8-34(9-7-33)19(2)35/h4-5,14-17,32H,6-13H2,1-3H3
InChIKeyURGPNRRBRSGMHA-UHFFFAOYSA-N
MW537.59 g/mol
LogP3.92
Rot. Bonds10

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

1-[4-[2-[2-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxyethoxy]ethyl]piperazin-1-yl]ethanone (PubChem CID 10128726) has the molecular formula C28H32FN5O5 and a molecular weight of 537.59 g/mol. Its IUPAC name is 1-[4-[2-[2-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxyethoxy]ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[2-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxyethoxy]ethyl]piperazin-1-yl]ethanone
PubChem CID10128726
Molecular FormulaC28H32FN5O5
Molecular Weight537.59 g/mol
Exact Mass537.24
IUPAC Name1-[4-[2-[2-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxyethoxy]ethyl]piperazin-1-yl]ethanone
SMILESCOc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCOCCN1CCN(C(C)=O)CC1
InChIInChI=1S/C28H32FN5O5/c1-18-14-20-22(32-18)4-5-24(27(20)29)39-28-21-15-25(36-3)26(16-23(21)30-17-31-28)38-13-12-37-11-10-33-6-8-34(9-7-33)19(2)35/h4-5,14-17,32H,6-13H2,1-3H3
InChIKeyURGPNRRBRSGMHA-UHFFFAOYSA-N
XLogP3.92
TPSA102.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.59
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-[2-[2-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxyethoxy]ethyl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[2-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxyethoxy]ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[2-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxyethoxy]ethyl]piperazin-1-yl]ethanone (CID 10128726) is 1-[4-[2-[2-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxyethoxy]ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[2-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxyethoxy]ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[2-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxyethoxy]ethyl]piperazin-1-yl]ethanone is COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCOCCN1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-[2-[2-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxyethoxy]ethyl]piperazin-1-yl]ethanone?
The InChIKey is URGPNRRBRSGMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5O5/c1-18-14-20-22(32-18)4-5-24(27(20)29)39-28-21-15-25(36-3)26(16-23(21)30-17-31-28)38-13-12-37-11-10-33-6-8-34(9-7-33)19(2)35/h4-5,14-17,32H,6-13H2,1-3H3.
What are the key properties of 1-[4-[2-[2-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxyethoxy]ethyl]piperazin-1-yl]ethanone?
1-[4-[2-[2-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxyethoxy]ethyl]piperazin-1-yl]ethanone has a molecular weight of 537.59 g/mol, XLogP of 3.92, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[2-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxyethoxy]ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 10128726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).