4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-hydroxybutanoic acid

C22H21FN4O5 — CID 11539449

IUPAC4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-hydroxybutanoic acid
SMILESCOc1cc2c(Nc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCC(O)CC(=O)O
InChIInChI=1S/C22H21FN4O5/c1-11-5-13-15(26-11)3-4-16(21(13)23)27-22-14-7-18(31-2)19(8-17(14)24-10-25-22)32-9-12(28)6-20(29)30/h3-5,7-8,10,12,26,28H,6,9H2,1-2H3,(H,29,30)(H,24,25,27)
InChIKeyAMUNKFANRRSTCO-UHFFFAOYSA-N
MW440.43 g/mol
LogP3.53
Rot. Bonds8

About 4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-hydroxybutanoic acid

4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-hydroxybutanoic acid (PubChem CID 11539449) has the molecular formula C22H21FN4O5 and a molecular weight of 440.43 g/mol. Its IUPAC name is 4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-hydroxybutanoic acid
PubChem CID11539449
Molecular FormulaC22H21FN4O5
Molecular Weight440.43 g/mol
Exact Mass440.15
IUPAC Name4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-hydroxybutanoic acid
SMILESCOc1cc2c(Nc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCC(O)CC(=O)O
InChIInChI=1S/C22H21FN4O5/c1-11-5-13-15(26-11)3-4-16(21(13)23)27-22-14-7-18(31-2)19(8-17(14)24-10-25-22)32-9-12(28)6-20(29)30/h3-5,7-8,10,12,26,28H,6,9H2,1-2H3,(H,29,30)(H,24,25,27)
InChIKeyAMUNKFANRRSTCO-UHFFFAOYSA-N
XLogP3.53
TPSA129.59 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 53.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-hydroxybutanoic acid with MolForge

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Launch Full Analysis

Related Compounds

ethane;4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-3-hydroxybutanoic acid
CID 143120826
ethyl 6-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]-7-phenylmethoxyquinazolin-6-yl]oxyhexanoate
CID 68676379
ethane;6-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-3,5-dihydroxyhexanoic acid;prop-1-ene
CID 143120871
5-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypentanoic acid
CID 147510132
ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-propoxyquinazoline
CID 142999087
3-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxypropanamide
CID 130310905
7-[4-[2-fluoro-4-methyl-3-(2-methylprop-1-enyl)anilino]-6-methoxyquinazolin-7-yl]oxyheptanamide
CID 143778160
3-[6-[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxy-3,5-dihydroxyhexanoyl]-1,3-oxazolidine-4-carboxylic acid
CID 11628673
2-[(6,7-dimethoxyquinazolin-4-yl)amino]butanedioic acid
CID 21002993
(2S)-2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxymethyl]pyrrolidine-1-carboxylic acid
CID 68840024
[4-fluoro-5-[(6-methoxy-7-phenylmethoxyquinazolin-4-yl)amino]-2-methylphenyl] methyl carbonate
CID 22624931
4-[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]oxy-2-methylidenebutanamide
CID 68625101

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-hydroxybutanoic acid?
The IUPAC name of 4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-hydroxybutanoic acid (CID 11539449) is 4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-hydroxybutanoic acid.
What is the SMILES notation for 4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-hydroxybutanoic acid?
The canonical SMILES for 4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-hydroxybutanoic acid is COc1cc2c(Nc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCC(O)CC(=O)O.
What is the InChIKey of 4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-hydroxybutanoic acid?
The InChIKey is AMUNKFANRRSTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O5/c1-11-5-13-15(26-11)3-4-16(21(13)23)27-22-14-7-18(31-2)19(8-17(14)24-10-25-22)32-9-12(28)6-20(29)30/h3-5,7-8,10,12,26,28H,6,9H2,1-2H3,(H,29,30)(H,24,25,27).
What are the key properties of 4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-hydroxybutanoic acid?
4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-hydroxybutanoic acid has a molecular weight of 440.43 g/mol, XLogP of 3.53, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-hydroxybutanoic acid is sourced from PubChem (CID 11539449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).