7-(1H-indazol-5-yl)-3-[(3-methoxyphenyl)methyl]-2H-1,3-benzoxazin-4-one

C23H19N3O3 — CID 164624503

IUPAC7-(1H-indazol-5-yl)-3-[(3-methoxyphenyl)methyl]-2H-1,3-benzoxazin-4-one
SMILESCOc1cccc(CN2COc3cc(-c4ccc5[nH]ncc5c4)ccc3C2=O)c1
InChIInChI=1S/C23H19N3O3/c1-28-19-4-2-3-15(9-19)13-26-14-29-22-11-17(5-7-20(22)23(26)27)16-6-8-21-18(10-16)12-24-25-21/h2-12H,13-14H2,1H3,(H,24,25)
InChIKeyLLOLMJQGZLLBQL-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.23
Rot. Bonds4

About 7-(1H-indazol-5-yl)-3-[(3-methoxyphenyl)methyl]-2H-1,3-benzoxazin-4-one

7-(1H-indazol-5-yl)-3-[(3-methoxyphenyl)methyl]-2H-1,3-benzoxazin-4-one (PubChem CID 164624503) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 7-(1H-indazol-5-yl)-3-[(3-methoxyphenyl)methyl]-2H-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name7-(1H-indazol-5-yl)-3-[(3-methoxyphenyl)methyl]-2H-1,3-benzoxazin-4-one
PubChem CID164624503
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name7-(1H-indazol-5-yl)-3-[(3-methoxyphenyl)methyl]-2H-1,3-benzoxazin-4-one
SMILESCOc1cccc(CN2COc3cc(-c4ccc5[nH]ncc5c4)ccc3C2=O)c1
InChIInChI=1S/C23H19N3O3/c1-28-19-4-2-3-15(9-19)13-26-14-29-22-11-17(5-7-20(22)23(26)27)16-6-8-21-18(10-16)12-24-25-21/h2-12H,13-14H2,1H3,(H,24,25)
InChIKeyLLOLMJQGZLLBQL-UHFFFAOYSA-N
XLogP4.23
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(1H-indazol-5-yl)-3-[(3-methoxyphenyl)methyl]-2H-1,3-benzoxazin-4-one?
The IUPAC name of 7-(1H-indazol-5-yl)-3-[(3-methoxyphenyl)methyl]-2H-1,3-benzoxazin-4-one (CID 164624503) is 7-(1H-indazol-5-yl)-3-[(3-methoxyphenyl)methyl]-2H-1,3-benzoxazin-4-one.
What is the SMILES notation for 7-(1H-indazol-5-yl)-3-[(3-methoxyphenyl)methyl]-2H-1,3-benzoxazin-4-one?
The canonical SMILES for 7-(1H-indazol-5-yl)-3-[(3-methoxyphenyl)methyl]-2H-1,3-benzoxazin-4-one is COc1cccc(CN2COc3cc(-c4ccc5[nH]ncc5c4)ccc3C2=O)c1.
What is the InChIKey of 7-(1H-indazol-5-yl)-3-[(3-methoxyphenyl)methyl]-2H-1,3-benzoxazin-4-one?
The InChIKey is LLOLMJQGZLLBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-28-19-4-2-3-15(9-19)13-26-14-29-22-11-17(5-7-20(22)23(26)27)16-6-8-21-18(10-16)12-24-25-21/h2-12H,13-14H2,1H3,(H,24,25).
What are the key properties of 7-(1H-indazol-5-yl)-3-[(3-methoxyphenyl)methyl]-2H-1,3-benzoxazin-4-one?
7-(1H-indazol-5-yl)-3-[(3-methoxyphenyl)methyl]-2H-1,3-benzoxazin-4-one has a molecular weight of 385.42 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-indazol-5-yl)-3-[(3-methoxyphenyl)methyl]-2H-1,3-benzoxazin-4-one is sourced from PubChem (CID 164624503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).