3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one

C27H27N3O5 — CID 157100107

IUPAC3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one
SMILESCOc1cc2c(Oc3cnc4c(c3)C=C(C)C4)ccnc2cc1OCCC(=O)N1CC2(COC2)C1
InChIInChI=1S/C27H27N3O5/c1-17-7-18-9-19(12-29-21(18)8-17)35-23-3-5-28-22-11-25(24(32-2)10-20(22)23)34-6-4-26(31)30-13-27(14-30)15-33-16-27/h3,5,7,9-12H,4,6,8,13-16H2,1-2H3
InChIKeyMGZWPEKCNCMLIJ-UHFFFAOYSA-N
MW473.53 g/mol
LogP4.02
Rot. Bonds7

About 3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one

3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one (PubChem CID 157100107) has the molecular formula C27H27N3O5 and a molecular weight of 473.53 g/mol. Its IUPAC name is 3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one.

Molecular Properties

Compound Name3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one
PubChem CID157100107
Molecular FormulaC27H27N3O5
Molecular Weight473.53 g/mol
Exact Mass473.20
IUPAC Name3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one
SMILESCOc1cc2c(Oc3cnc4c(c3)C=C(C)C4)ccnc2cc1OCCC(=O)N1CC2(COC2)C1
InChIInChI=1S/C27H27N3O5/c1-17-7-18-9-19(12-29-21(18)8-17)35-23-3-5-28-22-11-25(24(32-2)10-20(22)23)34-6-4-26(31)30-13-27(14-30)15-33-16-27/h3,5,7,9-12H,4,6,8,13-16H2,1-2H3
InChIKeyMGZWPEKCNCMLIJ-UHFFFAOYSA-N
XLogP4.02
TPSA83.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one with MolForge

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Related Compounds

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;4-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-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]quinolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one
CID 159265961
4-[6-methoxy-4-[(2-methyl-1H-inden-5-yl)oxy]quinolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one
CID 157100110
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-[(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
6-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxypropyl]-2-oxa-6-azaspiro[3.3]heptane;7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;7-[3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane;7-[3-[6-methoxy-4-[(2-methyl-1H-inden-5-yl)oxy]quinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;7-[3-[6-methoxy-4-[(2-methyl-1H-inden-5-yl)oxy]quinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane
CID 157236315
4-[6-methoxy-4-[(2-methyl-1H-inden-5-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one
CID 157082429
3-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one;6-[3-[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-6-azaspiro[3.3]heptane;7-[3-[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane;6-[3-[6-methoxy-4-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-6-azaspiro[3.3]heptane;7-[3-[6-methoxy-4-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;7-[3-[6-methoxy-4-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane
CID 159338818
4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one
CID 85469418
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
4-[6-methoxy-4-[[3-[7-[4-[6-methoxy-4-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]quinazolin-7-yl]oxybutanoyl]-2-oxa-7-azaspiro[3.5]nonan-3-yl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]quinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one
CID 123770583
1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-oxopropoxy]quinazolin-4-yl]oxyphenyl]-4-methylpentan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-oxopropoxy]quinolin-4-yl]oxyphenyl]-4-methylpentan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-4-methylpentan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-4-methylpentan-2-one
CID 160691379
1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]hexan-2-one
CID 157253214

Frequently Asked Questions

What is the IUPAC name of 3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one?
The IUPAC name of 3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one (CID 157100107) is 3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one.
What is the SMILES notation for 3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one?
The canonical SMILES for 3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one is COc1cc2c(Oc3cnc4c(c3)C=C(C)C4)ccnc2cc1OCCC(=O)N1CC2(COC2)C1.
What is the InChIKey of 3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one?
The InChIKey is MGZWPEKCNCMLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O5/c1-17-7-18-9-19(12-29-21(18)8-17)35-23-3-5-28-22-11-25(24(32-2)10-20(22)23)34-6-4-26(31)30-13-27(14-30)15-33-16-27/h3,5,7,9-12H,4,6,8,13-16H2,1-2H3.
What are the key properties of 3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one?
3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one has a molecular weight of 473.53 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one is sourced from PubChem (CID 157100107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).