1-[4-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypiperidin-1-yl]propan-2-one

C27H28FN3O4 — CID 161033051

IUPAC1-[4-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypiperidin-1-yl]propan-2-one
SMILESCOc1cc2c(Oc3ccc4c(c3F)C=C(C)C4)ncnc2cc1OC1CCN(CC(C)=O)CC1
InChIInChI=1S/C27H28FN3O4/c1-16-10-18-4-5-23(26(28)20(18)11-16)35-27-21-12-24(33-3)25(13-22(21)29-15-30-27)34-19-6-8-31(9-7-19)14-17(2)32/h4-5,11-13,15,19H,6-10,14H2,1-3H3
InChIKeyYSIDQXBVZAGOEH-UHFFFAOYSA-N
MW477.54 g/mol
LogP4.96
Rot. Bonds7

About 1-[4-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypiperidin-1-yl]propan-2-one

1-[4-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypiperidin-1-yl]propan-2-one (PubChem CID 161033051) has the molecular formula C27H28FN3O4 and a molecular weight of 477.54 g/mol. Its IUPAC name is 1-[4-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypiperidin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypiperidin-1-yl]propan-2-one
PubChem CID161033051
Molecular FormulaC27H28FN3O4
Molecular Weight477.54 g/mol
Exact Mass477.21
IUPAC Name1-[4-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypiperidin-1-yl]propan-2-one
SMILESCOc1cc2c(Oc3ccc4c(c3F)C=C(C)C4)ncnc2cc1OC1CCN(CC(C)=O)CC1
InChIInChI=1S/C27H28FN3O4/c1-16-10-18-4-5-23(26(28)20(18)11-16)35-27-21-12-24(33-3)25(13-22(21)29-15-30-27)34-19-6-8-31(9-7-19)14-17(2)32/h4-5,11-13,15,19H,6-10,14H2,1-3H3
InChIKeyYSIDQXBVZAGOEH-UHFFFAOYSA-N
XLogP4.96
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypiperidin-1-yl]propan-2-one with MolForge

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Related Compounds

4-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.4]octan-7-yl)butan-1-one
CID 157082427
1-[4-[3-[4-[(1-fluoro-7-methyl-5,6-dihydronaphthalen-2-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]piperazin-1-yl]ethanone
CID 142269989
4-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one;3-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one;4-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.4]octan-7-yl)butan-1-one;4-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one;3-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one;4-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.4]octan-7-yl)butan-1-one
CID 159241461
N-[3-[7-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-6-methoxyquinazolin-4-yl]oxyphenyl]formamide
CID 130343852
7-[3-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;4-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one;3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one
CID 162211662
4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline;4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-piperidin-4-yloxyquinazoline
CID 159234892
(2S)-2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxymethyl]pyrrolidine-1-carboxylic acid
CID 68840024
1-[4-[2-[6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxyethyl]piperazin-1-yl]propan-2-one
CID 11352302
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[2-(1-methylpiperidin-4-yl)ethoxy]quinazoline
CID 10183293
2-[4-[4-[2-fluoro-4-[[2-(4-fluorophenyl)-4-oxo-2H-1,3-thiazin-3-yl]carbamoylamino]phenoxy]-6-methoxyquinazolin-7-yl]oxypiperidin-1-yl]acetamide
CID 150954415
1-[4-[3-[4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]ethanone
CID 142269963
1-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]ethanone
CID 10433617

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypiperidin-1-yl]propan-2-one?
The IUPAC name of 1-[4-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypiperidin-1-yl]propan-2-one (CID 161033051) is 1-[4-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypiperidin-1-yl]propan-2-one.
What is the SMILES notation for 1-[4-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypiperidin-1-yl]propan-2-one?
The canonical SMILES for 1-[4-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypiperidin-1-yl]propan-2-one is COc1cc2c(Oc3ccc4c(c3F)C=C(C)C4)ncnc2cc1OC1CCN(CC(C)=O)CC1.
What is the InChIKey of 1-[4-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypiperidin-1-yl]propan-2-one?
The InChIKey is YSIDQXBVZAGOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O4/c1-16-10-18-4-5-23(26(28)20(18)11-16)35-27-21-12-24(33-3)25(13-22(21)29-15-30-27)34-19-6-8-31(9-7-19)14-17(2)32/h4-5,11-13,15,19H,6-10,14H2,1-3H3.
What are the key properties of 1-[4-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypiperidin-1-yl]propan-2-one?
1-[4-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypiperidin-1-yl]propan-2-one has a molecular weight of 477.54 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypiperidin-1-yl]propan-2-one is sourced from PubChem (CID 161033051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).