4-[1-(6,7-dimethoxycinnolin-4-yl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1,2-oxazole

C23H22N4O3 — CID 11689899

IUPAC4-[1-(6,7-dimethoxycinnolin-4-yl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2nncc(N3CCc4cc(-c5c(C)noc5C)ccc43)c2cc1OC
InChIInChI=1S/C23H22N4O3/c1-13-23(14(2)30-26-13)16-5-6-19-15(9-16)7-8-27(19)20-12-24-25-18-11-22(29-4)21(28-3)10-17(18)20/h5-6,9-12H,7-8H2,1-4H3
InChIKeyXKULTBKENQYYLA-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.61
Rot. Bonds4

About 4-[1-(6,7-dimethoxycinnolin-4-yl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1,2-oxazole

4-[1-(6,7-dimethoxycinnolin-4-yl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 11689899) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 4-[1-(6,7-dimethoxycinnolin-4-yl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-(6,7-dimethoxycinnolin-4-yl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID11689899
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name4-[1-(6,7-dimethoxycinnolin-4-yl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2nncc(N3CCc4cc(-c5c(C)noc5C)ccc43)c2cc1OC
InChIInChI=1S/C23H22N4O3/c1-13-23(14(2)30-26-13)16-5-6-19-15(9-16)7-8-27(19)20-12-24-25-18-11-22(29-4)21(28-3)10-17(18)20/h5-6,9-12H,7-8H2,1-4H3
InChIKeyXKULTBKENQYYLA-UHFFFAOYSA-N
XLogP4.61
TPSA73.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(6,7-dimethoxycinnolin-4-yl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[1-(6,7-dimethoxycinnolin-4-yl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 11689899) is 4-[1-(6,7-dimethoxycinnolin-4-yl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[1-(6,7-dimethoxycinnolin-4-yl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[1-(6,7-dimethoxycinnolin-4-yl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1,2-oxazole is COc1cc2nncc(N3CCc4cc(-c5c(C)noc5C)ccc43)c2cc1OC.
What is the InChIKey of 4-[1-(6,7-dimethoxycinnolin-4-yl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is XKULTBKENQYYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-13-23(14(2)30-26-13)16-5-6-19-15(9-16)7-8-27(19)20-12-24-25-18-11-22(29-4)21(28-3)10-17(18)20/h5-6,9-12H,7-8H2,1-4H3.
What are the key properties of 4-[1-(6,7-dimethoxycinnolin-4-yl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1,2-oxazole?
4-[1-(6,7-dimethoxycinnolin-4-yl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 402.45 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6,7-dimethoxycinnolin-4-yl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 11689899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).