[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7-hydroxyquinazolin-6-yl] (2R)-2,4-dimethylpiperazine-1-carboxylate

C24H24FN5O4 — CID 151563575

IUPAC[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7-hydroxyquinazolin-6-yl] (2R)-2,4-dimethylpiperazine-1-carboxylate
SMILESCc1cc2c(F)c(Oc3ncnc4cc(O)c(OC(=O)N5CCN(C)C[C@H]5C)cc34)ccc2[nH]1
InChIInChI=1S/C24H24FN5O4/c1-13-8-15-17(28-13)4-5-20(22(15)25)33-23-16-9-21(19(31)10-18(16)26-12-27-23)34-24(32)30-7-6-29(3)11-14(30)2/h4-5,8-10,12,14,28,31H,6-7,11H2,1-3H3/t14-/m1/s1
InChIKeyQCYZCOADUBXHRU-CQSZACIVSA-N
MW465.49 g/mol
LogP4.19
Rot. Bonds3

About [4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7-hydroxyquinazolin-6-yl] (2R)-2,4-dimethylpiperazine-1-carboxylate

[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7-hydroxyquinazolin-6-yl] (2R)-2,4-dimethylpiperazine-1-carboxylate (PubChem CID 151563575) has the molecular formula C24H24FN5O4 and a molecular weight of 465.49 g/mol. Its IUPAC name is [4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7-hydroxyquinazolin-6-yl] (2R)-2,4-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7-hydroxyquinazolin-6-yl] (2R)-2,4-dimethylpiperazine-1-carboxylate
PubChem CID151563575
Molecular FormulaC24H24FN5O4
Molecular Weight465.49 g/mol
Exact Mass465.18
IUPAC Name[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7-hydroxyquinazolin-6-yl] (2R)-2,4-dimethylpiperazine-1-carboxylate
SMILESCc1cc2c(F)c(Oc3ncnc4cc(O)c(OC(=O)N5CCN(C)C[C@H]5C)cc34)ccc2[nH]1
InChIInChI=1S/C24H24FN5O4/c1-13-8-15-17(28-13)4-5-20(22(15)25)33-23-16-9-21(19(31)10-18(16)26-12-27-23)34-24(32)30-7-6-29(3)11-14(30)2/h4-5,8-10,12,14,28,31H,6-7,11H2,1-3H3/t14-/m1/s1
InChIKeyQCYZCOADUBXHRU-CQSZACIVSA-N
XLogP4.19
TPSA103.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7-hydroxyquinazolin-6-yl] (2R)-2,4-dimethylpiperazine-1-carboxylate 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 [4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7-hydroxyquinazolin-6-yl] (2R)-2,4-dimethylpiperazine-1-carboxylate?
The IUPAC name of [4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7-hydroxyquinazolin-6-yl] (2R)-2,4-dimethylpiperazine-1-carboxylate (CID 151563575) is [4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7-hydroxyquinazolin-6-yl] (2R)-2,4-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for [4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7-hydroxyquinazolin-6-yl] (2R)-2,4-dimethylpiperazine-1-carboxylate?
The canonical SMILES for [4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7-hydroxyquinazolin-6-yl] (2R)-2,4-dimethylpiperazine-1-carboxylate is Cc1cc2c(F)c(Oc3ncnc4cc(O)c(OC(=O)N5CCN(C)C[C@H]5C)cc34)ccc2[nH]1.
What is the InChIKey of [4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7-hydroxyquinazolin-6-yl] (2R)-2,4-dimethylpiperazine-1-carboxylate?
The InChIKey is QCYZCOADUBXHRU-CQSZACIVSA-N. The full InChI is InChI=1S/C24H24FN5O4/c1-13-8-15-17(28-13)4-5-20(22(15)25)33-23-16-9-21(19(31)10-18(16)26-12-27-23)34-24(32)30-7-6-29(3)11-14(30)2/h4-5,8-10,12,14,28,31H,6-7,11H2,1-3H3/t14-/m1/s1.
What are the key properties of [4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7-hydroxyquinazolin-6-yl] (2R)-2,4-dimethylpiperazine-1-carboxylate?
[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7-hydroxyquinazolin-6-yl] (2R)-2,4-dimethylpiperazine-1-carboxylate has a molecular weight of 465.49 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7-hydroxyquinazolin-6-yl] (2R)-2,4-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 151563575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).