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

About 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

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 (PubChem CID 85469266) has the molecular formula C28H29FN4O5 and a molecular weight of 520.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name	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
PubChem CID	85469266
Molecular Formula	C28H29FN4O5
Molecular Weight	520.56 g/mol
Exact Mass	520.21
IUPAC Name	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
SMILES	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCC(=O)N1CCC2(COC2)C1
InChI	InChI=1S/C28H29FN4O5/c1-17-10-18-20(32-17)5-6-22(26(18)29)38-27-19-11-23(35-2)24(12-21(19)30-16-31-27)37-9-3-4-25(34)33-8-7-28(13-33)14-36-15-28/h5-6,10-12,16,32H,3-4,7-9,13-15H2,1-2H3
InChIKey	WUUWVZBELHDOAW-UHFFFAOYSA-N
XLogP	4.77
TPSA	98.80 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	8
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.56
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCC(=O)N1CCC2(COC2)C1.

What is the InChIKey of 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?

The InChIKey is WUUWVZBELHDOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O5/c1-17-10-18-20(32-17)5-6-22(26(18)29)38-27-19-11-23(35-2)24(12-21(19)30-16-31-27)37-9-3-4-25(34)33-8-7-28(13-33)14-36-15-28/h5-6,10-12,16,32H,3-4,7-9,13-15H2,1-2H3.

What are the key properties of 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?

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 has a molecular weight of 520.56 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 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)oxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.4]octan-7-yl)butan-1-one is sourced from PubChem (CID 85469266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).