6-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3,4-dihydro-1H-quinolin-2-one

C23H21N7O3 — CID 72950094

IUPAC6-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Oc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)n3)ccc2N1
InChIInChI=1S/C23H21N7O3/c31-20-7-4-14-12-15(5-6-18(14)25-20)33-23-27-21(16-2-1-3-19-17(16)13-24-29-19)26-22(28-23)30-8-10-32-11-9-30/h1-3,5-6,12-13H,4,7-11H2,(H,24,29)(H,25,31)
InChIKeyYNJMGAXGBQVEHB-UHFFFAOYSA-N
MW443.47 g/mol
LogP2.93
Rot. Bonds4

About 6-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3,4-dihydro-1H-quinolin-2-one

6-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 72950094) has the molecular formula C23H21N7O3 and a molecular weight of 443.47 g/mol. Its IUPAC name is 6-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID72950094
Molecular FormulaC23H21N7O3
Molecular Weight443.47 g/mol
Exact Mass443.17
IUPAC Name6-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Oc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)n3)ccc2N1
InChIInChI=1S/C23H21N7O3/c31-20-7-4-14-12-15(5-6-18(14)25-20)33-23-27-21(16-2-1-3-19-17(16)13-24-29-19)26-22(28-23)30-8-10-32-11-9-30/h1-3,5-6,12-13H,4,7-11H2,(H,24,29)(H,25,31)
InChIKeyYNJMGAXGBQVEHB-UHFFFAOYSA-N
XLogP2.93
TPSA118.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3,4-dihydro-1H-quinolin-2-one 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 6-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3,4-dihydro-1H-quinolin-2-one (CID 72950094) is 6-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(Oc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)n3)ccc2N1.
What is the InChIKey of 6-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is YNJMGAXGBQVEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O3/c31-20-7-4-14-12-15(5-6-18(14)25-20)33-23-27-21(16-2-1-3-19-17(16)13-24-29-19)26-22(28-23)30-8-10-32-11-9-30/h1-3,5-6,12-13H,4,7-11H2,(H,24,29)(H,25,31).
What are the key properties of 6-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3,4-dihydro-1H-quinolin-2-one?
6-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 443.47 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 72950094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).