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

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Related Compounds

6-(2-chloroethyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 82255541
6-(2-aminoethyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 22623121
6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 66716822
6-[[[3-[(benzylamino)methyl]phenyl]methylamino]methyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 22597518
2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetonitrile
CID 82469609
2-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetic acid
CID 96672277
2-methyl-6-[[methyl(pyridin-2-yl)amino]methyl]-4H-1,4-benzoxazin-3-one
CID 66716709
2-methyl-6-[[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one
CID 46926685
2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770558
6-[[aminomethyl(methyl)amino]methyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 115225912
N-methyl-N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]carbamoyl bromide
CID 115193782
N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide
CID 110783688

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).