4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxymethyl]cyclobutyl]morpholine

C27H29FN4O4 — CID 156634131

IUPAC4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxymethyl]cyclobutyl]morpholine
SMILESCOc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCC1CC(N2CCOCC2)C1
InChIInChI=1S/C27H29FN4O4/c1-16-9-19-21(31-16)3-4-23(26(19)28)36-27-20-12-24(33-2)25(13-22(20)29-15-30-27)35-14-17-10-18(11-17)32-5-7-34-8-6-32/h3-4,9,12-13,15,17-18,31H,5-8,10-11,14H2,1-2H3
InChIKeyVNAUPLHKWYQMEQ-UHFFFAOYSA-N
MW492.55 g/mol
LogP4.85
Rot. Bonds7

About 4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxymethyl]cyclobutyl]morpholine

4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxymethyl]cyclobutyl]morpholine (PubChem CID 156634131) has the molecular formula C27H29FN4O4 and a molecular weight of 492.55 g/mol. Its IUPAC name is 4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxymethyl]cyclobutyl]morpholine.

Molecular Properties

Compound Name4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxymethyl]cyclobutyl]morpholine
PubChem CID156634131
Molecular FormulaC27H29FN4O4
Molecular Weight492.55 g/mol
Exact Mass492.22
IUPAC Name4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxymethyl]cyclobutyl]morpholine
SMILESCOc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCC1CC(N2CCOCC2)C1
InChIInChI=1S/C27H29FN4O4/c1-16-9-19-21(31-16)3-4-23(26(19)28)36-27-20-12-24(33-2)25(13-22(20)29-15-30-27)35-14-17-10-18(11-17)32-5-7-34-8-6-32/h3-4,9,12-13,15,17-18,31H,5-8,10-11,14H2,1-2H3
InChIKeyVNAUPLHKWYQMEQ-UHFFFAOYSA-N
XLogP4.85
TPSA81.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.55
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxymethyl]cyclobutyl]morpholine with MolForge

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Related Compounds

4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[2-(1-methylpiperidin-4-yl)ethoxy]quinazoline
CID 10183293
ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-propoxyquinazoline
CID 142999087
(2S)-2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxymethyl]pyrrolidine-1-carboxylic acid
CID 68840024
4-chloro-6-methyl-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline;4-fluoro-2-methyl-1H-indol-5-ol;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline
CID 162118251
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7-methoxy-6-[3-(4-methylsulfonylpiperazin-1-yl)propoxy]quinazoline
CID 67019243
5-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypentanoic acid
CID 147510132
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
N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxy-N-(methylidene-λ3-iodanyl)methanamine
CID 163654120
N-[3-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-N-methylpentan-1-amine
CID 143466898
7-(3-bromopropoxy)-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazoline;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-ol;1-[4-[3-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]piperazin-1-yl]ethanone
CID 159784671
[7-(5-cyclopentylpentoxy)-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl]phosphane
CID 90917695
[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7-hydroxyquinazolin-6-yl] (2R)-2,4-dimethylpiperazine-1-carboxylate
CID 151563575

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxymethyl]cyclobutyl]morpholine?
The IUPAC name of 4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxymethyl]cyclobutyl]morpholine (CID 156634131) is 4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxymethyl]cyclobutyl]morpholine.
What is the SMILES notation for 4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxymethyl]cyclobutyl]morpholine?
The canonical SMILES for 4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxymethyl]cyclobutyl]morpholine is COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCC1CC(N2CCOCC2)C1.
What is the InChIKey of 4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxymethyl]cyclobutyl]morpholine?
The InChIKey is VNAUPLHKWYQMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O4/c1-16-9-19-21(31-16)3-4-23(26(19)28)36-27-20-12-24(33-2)25(13-22(20)29-15-30-27)35-14-17-10-18(11-17)32-5-7-34-8-6-32/h3-4,9,12-13,15,17-18,31H,5-8,10-11,14H2,1-2H3.
What are the key properties of 4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxymethyl]cyclobutyl]morpholine?
4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxymethyl]cyclobutyl]morpholine has a molecular weight of 492.55 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxymethyl]cyclobutyl]morpholine is sourced from PubChem (CID 156634131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).