3-[6-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxy-3,5-dihydroxyhexanoyl]-1,3-oxazolidine-4-carboxylic acid

C28H29FN4O9 — CID 11541567

IUPAC3-[6-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxy-3,5-dihydroxyhexanoyl]-1,3-oxazolidine-4-carboxylic acid
SMILESCOc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCC(O)CC(O)CC(=O)N1COCC1C(=O)O
InChIInChI=1S/C28H29FN4O9/c1-14-5-17-19(32-14)3-4-22(26(17)29)42-27-18-8-23(39-2)24(9-20(18)30-12-31-27)41-10-16(35)6-15(34)7-25(36)33-13-40-11-21(33)28(37)38/h3-5,8-9,12,15-16,21,32,34-35H,6-7,10-11,13H2,1-2H3,(H,37,38)
InChIKeyWBXLVWISQQUUHQ-UHFFFAOYSA-N
MW584.56 g/mol
LogP2.51
Rot. Bonds11

About 3-[6-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxy-3,5-dihydroxyhexanoyl]-1,3-oxazolidine-4-carboxylic acid

3-[6-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxy-3,5-dihydroxyhexanoyl]-1,3-oxazolidine-4-carboxylic acid (PubChem CID 11541567) has the molecular formula C28H29FN4O9 and a molecular weight of 584.56 g/mol. Its IUPAC name is 3-[6-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxy-3,5-dihydroxyhexanoyl]-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[6-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxy-3,5-dihydroxyhexanoyl]-1,3-oxazolidine-4-carboxylic acid
PubChem CID11541567
Molecular FormulaC28H29FN4O9
Molecular Weight584.56 g/mol
Exact Mass584.19
IUPAC Name3-[6-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxy-3,5-dihydroxyhexanoyl]-1,3-oxazolidine-4-carboxylic acid
SMILESCOc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCC(O)CC(O)CC(=O)N1COCC1C(=O)O
InChIInChI=1S/C28H29FN4O9/c1-14-5-17-19(32-14)3-4-22(26(17)29)42-27-18-8-23(39-2)24(9-20(18)30-12-31-27)41-10-16(35)6-15(34)7-25(36)33-13-40-11-21(33)28(37)38/h3-5,8-9,12,15-16,21,32,34-35H,6-7,10-11,13H2,1-2H3,(H,37,38)
InChIKeyWBXLVWISQQUUHQ-UHFFFAOYSA-N
XLogP2.51
TPSA176.56 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.56
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 3-[6-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxy-3,5-dihydroxyhexanoyl]-1,3-oxazolidine-4-carboxylic acid with MolForge

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Related Compounds

Cediranib
CID 9933475
Synthesis of 7-(3-[4,4-bis(hydroxymethyl)-1-piperidinyl]propoxy)-4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-6-methoxyquinazoline
CID 138562485
Cediranib Maleate
CID 11226834
4-((4-((4-fluoro-2-methyl-1H-indol-5-yl)oxy)-6-methoxyquinazolin-7-yl)oxy)-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one
CID 85469417
4-(4-Fluoro-2-methylindol-5-yloxy)-6-methoxy-7-(3-piperidinopropoxy)quinazoline
CID 10183292
6-Methoxy-4-(indol-6-yloxy)-7-(3-(pyrrolidin-1-yl)propoxy)quinazoline
CID 22030940
4-((4-Fluoro-2-methyl-1H-indol-5-yl)oxy)-6-methoxyquinazolin-7-ol
CID 135530832
5-(6,7-dimethoxyquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide
CID 90343103
(2R)-7-(2-hydroxy-3-(pyrrolidin-1-yl)propoxy)-4-(4-fluoro-2-methylindol-5-yloxy)-6-methoxyquinazoline
CID 9869146
6-[2-(4-acetylpiperazin-1-yl)ethoxy]-4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxyquinazoline
CID 10127970
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7-{[(2R)-1-isobutyrylpyrrolidin-2-yl]methoxy}-6-methoxyquinazoline
CID 10128176
7-{2-[2-(4-acetylpiperazin-1-yl)ethoxy]ethoxy}-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazoline
CID 10128726

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxy-3,5-dihydroxyhexanoyl]-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of 3-[6-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxy-3,5-dihydroxyhexanoyl]-1,3-oxazolidine-4-carboxylic acid (CID 11541567) is 3-[6-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxy-3,5-dihydroxyhexanoyl]-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[6-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxy-3,5-dihydroxyhexanoyl]-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for 3-[6-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxy-3,5-dihydroxyhexanoyl]-1,3-oxazolidine-4-carboxylic acid is COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCC(O)CC(O)CC(=O)N1COCC1C(=O)O.
What is the InChIKey of 3-[6-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxy-3,5-dihydroxyhexanoyl]-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is WBXLVWISQQUUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O9/c1-14-5-17-19(32-14)3-4-22(26(17)29)42-27-18-8-23(39-2)24(9-20(18)30-12-31-27)41-10-16(35)6-15(34)7-25(36)33-13-40-11-21(33)28(37)38/h3-5,8-9,12,15-16,21,32,34-35H,6-7,10-11,13H2,1-2H3,(H,37,38).
What are the key properties of 3-[6-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxy-3,5-dihydroxyhexanoyl]-1,3-oxazolidine-4-carboxylic acid?
3-[6-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxy-3,5-dihydroxyhexanoyl]-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 584.56 g/mol, XLogP of 2.51, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxy-3,5-dihydroxyhexanoyl]-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 11541567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).