4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-6,7-dimethoxyquinazoline;propane

C23H26FN3O3 — CID 142986375

IUPAC4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-6,7-dimethoxyquinazoline;propane
SMILESCCC.COc1cc2ncnc(Oc3ccc4c(cc(C)n4C)c3F)c2cc1OC
InChIInChI=1S/C20H18FN3O3.C3H8/c1-11-7-13-15(24(11)2)5-6-16(19(13)21)27-20-12-8-17(25-3)18(26-4)9-14(12)22-10-23-20;1-3-2/h5-10H,1-4H3;3H2,1-2H3
InChIKeyDTARNIGANMUGIH-UHFFFAOYSA-N
MW411.48 g/mol
LogP5.79
Rot. Bonds4

About 4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-6,7-dimethoxyquinazoline;propane

4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-6,7-dimethoxyquinazoline;propane (PubChem CID 142986375) has the molecular formula C23H26FN3O3 and a molecular weight of 411.48 g/mol. Its IUPAC name is 4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-6,7-dimethoxyquinazoline;propane.

Molecular Properties

Compound Name4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-6,7-dimethoxyquinazoline;propane
PubChem CID142986375
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC Name4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-6,7-dimethoxyquinazoline;propane
SMILESCCC.COc1cc2ncnc(Oc3ccc4c(cc(C)n4C)c3F)c2cc1OC
InChIInChI=1S/C20H18FN3O3.C3H8/c1-11-7-13-15(24(11)2)5-6-16(19(13)21)27-20-12-8-17(25-3)18(26-4)9-14(12)22-10-23-20;1-3-2/h5-10H,1-4H3;3H2,1-2H3
InChIKeyDTARNIGANMUGIH-UHFFFAOYSA-N
XLogP5.79
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.48
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[3-[4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]ethanone
CID 142269963
ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-propoxyquinazoline
CID 142999087
4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 129044979
3-[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]acetyl]-6-ethyl-1,2-dimethylquinolin-4-one
CID 159567255
4-[3-[4-(1,2-dimethylindol-5-yl)oxy-6-methoxyquinazolin-7-yl]oxypropyl]morpholine
CID 22030747
N-[5-(6,7-dimethoxyquinazolin-4-yl)oxy-2,4-difluorophenyl]hydroxylamine
CID 118527987
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[2-(1-methylpiperidin-4-yl)ethoxy]quinazoline
CID 10183293
N-[3-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-N-methylpentan-1-amine
CID 143466898
N-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxy-N-(methylidene-λ3-iodanyl)methanamine
CID 163654120
ethyl 3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxyphenyl]prop-2-enoate
CID 141450461
5-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypentanoic acid
CID 147510132
4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxymethyl]cyclobutyl]morpholine
CID 156634131

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-6,7-dimethoxyquinazoline;propane?
The IUPAC name of 4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-6,7-dimethoxyquinazoline;propane (CID 142986375) is 4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-6,7-dimethoxyquinazoline;propane.
What is the SMILES notation for 4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-6,7-dimethoxyquinazoline;propane?
The canonical SMILES for 4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-6,7-dimethoxyquinazoline;propane is CCC.COc1cc2ncnc(Oc3ccc4c(cc(C)n4C)c3F)c2cc1OC.
What is the InChIKey of 4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-6,7-dimethoxyquinazoline;propane?
The InChIKey is DTARNIGANMUGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3.C3H8/c1-11-7-13-15(24(11)2)5-6-16(19(13)21)27-20-12-8-17(25-3)18(26-4)9-14(12)22-10-23-20;1-3-2/h5-10H,1-4H3;3H2,1-2H3.
What are the key properties of 4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-6,7-dimethoxyquinazoline;propane?
4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-6,7-dimethoxyquinazoline;propane has a molecular weight of 411.48 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-1,2-dimethylindol-5-yl)oxy-6,7-dimethoxyquinazoline;propane is sourced from PubChem (CID 142986375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).