6-(indazol-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one

C17H15N3O2 — CID 66717199

IUPAC6-(indazol-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(Cn3ncc4ccccc43)cc2NC1=O
InChIInChI=1S/C17H15N3O2/c1-11-17(21)19-14-8-12(6-7-16(14)22-11)10-20-15-5-3-2-4-13(15)9-18-20/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyUMRACXAXPAJJKA-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.80
Rot. Bonds2

About 6-(indazol-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one

6-(indazol-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one (PubChem CID 66717199) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 6-(indazol-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(indazol-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one
PubChem CID66717199
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name6-(indazol-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(Cn3ncc4ccccc43)cc2NC1=O
InChIInChI=1S/C17H15N3O2/c1-11-17(21)19-14-8-12(6-7-16(14)22-11)10-20-15-5-3-2-4-13(15)9-18-20/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyUMRACXAXPAJJKA-UHFFFAOYSA-N
XLogP2.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(indazol-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-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-(indazol-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-(indazol-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one (CID 66717199) is 6-(indazol-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(indazol-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(indazol-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one is CC1Oc2ccc(Cn3ncc4ccccc43)cc2NC1=O.
What is the InChIKey of 6-(indazol-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one?
The InChIKey is UMRACXAXPAJJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11-17(21)19-14-8-12(6-7-16(14)22-11)10-20-15-5-3-2-4-13(15)9-18-20/h2-9,11H,10H2,1H3,(H,19,21).
What are the key properties of 6-(indazol-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one?
6-(indazol-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one has a molecular weight of 293.33 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(indazol-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 66717199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).