5-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypentanoic acid

C23H22FN3O5 — CID 147510132

IUPAC5-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypentanoic acid
SMILESCOc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCCC(=O)O
InChIInChI=1S/C23H22FN3O5/c1-13-9-14-16(27-13)6-7-18(22(14)24)32-23-15-10-19(30-2)20(11-17(15)25-12-26-23)31-8-4-3-5-21(28)29/h6-7,9-12,27H,3-5,8H2,1-2H3,(H,28,29)
InChIKeyFJDFOKWTHSOEPY-UHFFFAOYSA-N
MW439.44 g/mol
LogP4.99
Rot. Bonds9

About 5-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypentanoic acid

5-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypentanoic acid (PubChem CID 147510132) has the molecular formula C23H22FN3O5 and a molecular weight of 439.44 g/mol. Its IUPAC name is 5-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypentanoic acid.

Molecular Properties

Compound Name5-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypentanoic acid
PubChem CID147510132
Molecular FormulaC23H22FN3O5
Molecular Weight439.44 g/mol
Exact Mass439.15
IUPAC Name5-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypentanoic acid
SMILESCOc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCCC(=O)O
InChIInChI=1S/C23H22FN3O5/c1-13-9-14-16(27-13)6-7-18(22(14)24)32-23-15-10-19(30-2)20(11-17(15)25-12-26-23)31-8-4-3-5-21(28)29/h6-7,9-12,27H,3-5,8H2,1-2H3,(H,28,29)
InChIKeyFJDFOKWTHSOEPY-UHFFFAOYSA-N
XLogP4.99
TPSA106.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypentanoic acid with MolForge

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Related Compounds

ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-propoxyquinazoline
CID 142999087
N-[3-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-N-methylpentan-1-amine
CID 143466898
4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.4]octan-7-yl)butan-1-one
CID 85469266
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7-methoxy-6-[3-(4-methylsulfonylpiperazin-1-yl)propoxy]quinazoline
CID 67019243
(2S)-2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxymethyl]pyrrolidine-1-carboxylic acid
CID 68840024
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[2-(1-methylpiperidin-4-yl)ethoxy]quinazoline
CID 10183293
7-(3-bromopropoxy)-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazoline;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-ol;1-[4-[3-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]piperazin-1-yl]ethanone
CID 159784671
N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxy-N-(methylidene-λ3-iodanyl)methanamine
CID 163654120
[7-(5-cyclopentylpentoxy)-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl]phosphane
CID 90917695
4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxymethyl]cyclobutyl]morpholine
CID 156634131
ethane;4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-3-hydroxybutanoic acid
CID 143120826
4-[[5-[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]oxy-4-fluoro-1H-indol-2-yl]methoxy]-N-methylbutan-1-amine
CID 138465603

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypentanoic acid?
The IUPAC name of 5-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypentanoic acid (CID 147510132) is 5-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypentanoic acid.
What is the SMILES notation for 5-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypentanoic acid?
The canonical SMILES for 5-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypentanoic acid is COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCCC(=O)O.
What is the InChIKey of 5-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypentanoic acid?
The InChIKey is FJDFOKWTHSOEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O5/c1-13-9-14-16(27-13)6-7-18(22(14)24)32-23-15-10-19(30-2)20(11-17(15)25-12-26-23)31-8-4-3-5-21(28)29/h6-7,9-12,27H,3-5,8H2,1-2H3,(H,28,29).
What are the key properties of 5-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypentanoic acid?
5-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypentanoic acid has a molecular weight of 439.44 g/mol, XLogP of 4.99, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypentanoic acid is sourced from PubChem (CID 147510132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).