ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-propoxyquinazoline

C25H32FN3O3 — CID 142999087

IUPACethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-propoxyquinazoline
SMILESCC.CC.CCCOc1cc2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2cc1OC
InChIInChI=1S/C21H20FN3O3.2C2H6/c1-4-7-27-19-10-16-14(9-18(19)26-3)21(24-11-23-16)28-17-6-5-15-13(20(17)22)8-12(2)25-15;2*1-2/h5-6,8-11,25H,4,7H2,1-3H3;2*1-2H3
InChIKeyRRMVISHZUXDWSW-UHFFFAOYSA-N
MW441.55 g/mol
LogP7.20
Rot. Bonds6

About ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-propoxyquinazoline

ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-propoxyquinazoline (PubChem CID 142999087) has the molecular formula C25H32FN3O3 and a molecular weight of 441.55 g/mol. Its IUPAC name is ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-propoxyquinazoline.

Molecular Properties

Compound Nameethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-propoxyquinazoline
PubChem CID142999087
Molecular FormulaC25H32FN3O3
Molecular Weight441.55 g/mol
Exact Mass441.24
IUPAC Nameethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-propoxyquinazoline
SMILESCC.CC.CCCOc1cc2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2cc1OC
InChIInChI=1S/C21H20FN3O3.2C2H6/c1-4-7-27-19-10-16-14(9-18(19)26-3)21(24-11-23-16)28-17-6-5-15-13(20(17)22)8-12(2)25-15;2*1-2/h5-6,8-11,25H,4,7H2,1-3H3;2*1-2H3
InChIKeyRRMVISHZUXDWSW-UHFFFAOYSA-N
XLogP7.20
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.55
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-propoxyquinazoline with MolForge

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Related Compounds

N-[3-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-N-methylpentan-1-amine
CID 143466898
5-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypentanoic acid
CID 147510132
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[2-(1-methylpiperidin-4-yl)ethoxy]quinazoline
CID 10183293
N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxy-N-(methylidene-λ3-iodanyl)methanamine
CID 163654120
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7-methoxy-6-[3-(4-methylsulfonylpiperazin-1-yl)propoxy]quinazoline
CID 67019243
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
4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxymethyl]cyclobutyl]morpholine
CID 156634131
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
(2S)-2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxymethyl]pyrrolidine-1-carboxylic acid
CID 68840024
[7-(5-cyclopentylpentoxy)-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinazolin-6-yl]phosphane
CID 90917695
4-[[5-[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]oxy-4-fluoro-1H-indol-2-yl]methoxy]-N-methylbutan-1-amine
CID 138465603
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

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-propoxyquinazoline?
The IUPAC name of ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-propoxyquinazoline (CID 142999087) is ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-propoxyquinazoline.
What is the SMILES notation for ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-propoxyquinazoline?
The canonical SMILES for ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-propoxyquinazoline is CC.CC.CCCOc1cc2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2cc1OC.
What is the InChIKey of ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-propoxyquinazoline?
The InChIKey is RRMVISHZUXDWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3.2C2H6/c1-4-7-27-19-10-16-14(9-18(19)26-3)21(24-11-23-16)28-17-6-5-15-13(20(17)22)8-12(2)25-15;2*1-2/h5-6,8-11,25H,4,7H2,1-3H3;2*1-2H3.
What are the key properties of ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-propoxyquinazoline?
ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-propoxyquinazoline has a molecular weight of 441.55 g/mol, XLogP of 7.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-propoxyquinazoline is sourced from PubChem (CID 142999087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).