4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline;4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-piperidin-4-yloxyquinazoline

C45H44F2N8O8S — CID 159234892

IUPAC4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline;4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-piperidin-4-yloxyquinazoline
SMILESCOc1cc2ncnc(Oc3ccc4[nH]ccc4c3F)c2cc1OC1CCN(S(C)(=O)=O)CC1.COc1cc2ncnc(Oc3ccc4[nH]ccc4c3F)c2cc1OC1CCNCC1
InChIInChI=1S/C23H23FN4O5S.C22H21FN4O3/c1-31-20-12-18-16(11-21(20)32-14-6-9-28(10-7-14)34(2,29)30)23(27-13-26-18)33-19-4-3-17-15(22(19)24)5-8-25-17;1-28-19-11-17-15(10-20(19)29-13-4-7-24-8-5-13)22(27-12-26-17)30-18-3-2-16-14(21(18)23)6-9-25-16/h3-5,8,11-14,25H,6-7,9-10H2,1-2H3;2-3,6,9-13,24-25H,4-5,7-8H2,1H3
InChIKeyKTIRIPHULIBLNL-UHFFFAOYSA-N
MW894.96 g/mol
LogP8.04
Rot. Bonds11

About 4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline;4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-piperidin-4-yloxyquinazoline

4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline;4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-piperidin-4-yloxyquinazoline (PubChem CID 159234892) has the molecular formula C45H44F2N8O8S and a molecular weight of 894.96 g/mol. Its IUPAC name is 4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline;4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-piperidin-4-yloxyquinazoline.

Molecular Properties

Compound Name4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline;4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-piperidin-4-yloxyquinazoline
PubChem CID159234892
Molecular FormulaC45H44F2N8O8S
Molecular Weight894.96 g/mol
Exact Mass894.30
IUPAC Name4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline;4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-piperidin-4-yloxyquinazoline
SMILESCOc1cc2ncnc(Oc3ccc4[nH]ccc4c3F)c2cc1OC1CCN(S(C)(=O)=O)CC1.COc1cc2ncnc(Oc3ccc4[nH]ccc4c3F)c2cc1OC1CCNCC1
InChIInChI=1S/C23H23FN4O5S.C22H21FN4O3/c1-31-20-12-18-16(11-21(20)32-14-6-9-28(10-7-14)34(2,29)30)23(27-13-26-18)33-19-4-3-17-15(22(19)24)5-8-25-17;1-28-19-11-17-15(10-20(19)29-13-4-7-24-8-5-13)22(27-12-26-17)30-18-3-2-16-14(21(18)23)6-9-25-16/h3-5,8,11-14,25H,6-7,9-10H2,1-2H3;2-3,6,9-13,24-25H,4-5,7-8H2,1H3
InChIKeyKTIRIPHULIBLNL-UHFFFAOYSA-N
XLogP8.04
TPSA187.93 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500894.96
LogP ≤ 58.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline;4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-piperidin-4-yloxyquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline;4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-piperidin-4-yloxyquinazoline?
The IUPAC name of 4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline;4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-piperidin-4-yloxyquinazoline (CID 159234892) is 4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline;4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-piperidin-4-yloxyquinazoline.
What is the SMILES notation for 4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline;4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-piperidin-4-yloxyquinazoline?
The canonical SMILES for 4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline;4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-piperidin-4-yloxyquinazoline is COc1cc2ncnc(Oc3ccc4[nH]ccc4c3F)c2cc1OC1CCN(S(C)(=O)=O)CC1.COc1cc2ncnc(Oc3ccc4[nH]ccc4c3F)c2cc1OC1CCNCC1.
What is the InChIKey of 4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline;4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-piperidin-4-yloxyquinazoline?
The InChIKey is KTIRIPHULIBLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O5S.C22H21FN4O3/c1-31-20-12-18-16(11-21(20)32-14-6-9-28(10-7-14)34(2,29)30)23(27-13-26-18)33-19-4-3-17-15(22(19)24)5-8-25-17;1-28-19-11-17-15(10-20(19)29-13-4-7-24-8-5-13)22(27-12-26-17)30-18-3-2-16-14(21(18)23)6-9-25-16/h3-5,8,11-14,25H,6-7,9-10H2,1-2H3;2-3,6,9-13,24-25H,4-5,7-8H2,1H3.
What are the key properties of 4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline;4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-piperidin-4-yloxyquinazoline?
4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline;4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-piperidin-4-yloxyquinazoline has a molecular weight of 894.96 g/mol, XLogP of 8.04, 11 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline;4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxy-6-piperidin-4-yloxyquinazoline is sourced from PubChem (CID 159234892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).