7-[(5-methoxy-1-benzofuran-2-yl)methylamino]-4H-1,4-benzoxazin-3-one

C18H16N2O4 — CID 75521748

IUPAC7-[(5-methoxy-1-benzofuran-2-yl)methylamino]-4H-1,4-benzoxazin-3-one
SMILESCOc1ccc2oc(CNc3ccc4c(c3)OCC(=O)N4)cc2c1
InChIInChI=1S/C18H16N2O4/c1-22-13-3-5-16-11(6-13)7-14(24-16)9-19-12-2-4-15-17(8-12)23-10-18(21)20-15/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyBZUHIEQYBQNFGC-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.38
Rot. Bonds4

About 7-[(5-methoxy-1-benzofuran-2-yl)methylamino]-4H-1,4-benzoxazin-3-one

7-[(5-methoxy-1-benzofuran-2-yl)methylamino]-4H-1,4-benzoxazin-3-one (PubChem CID 75521748) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 7-[(5-methoxy-1-benzofuran-2-yl)methylamino]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-[(5-methoxy-1-benzofuran-2-yl)methylamino]-4H-1,4-benzoxazin-3-one
PubChem CID75521748
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name7-[(5-methoxy-1-benzofuran-2-yl)methylamino]-4H-1,4-benzoxazin-3-one
SMILESCOc1ccc2oc(CNc3ccc4c(c3)OCC(=O)N4)cc2c1
InChIInChI=1S/C18H16N2O4/c1-22-13-3-5-16-11(6-13)7-14(24-16)9-19-12-2-4-15-17(8-12)23-10-18(21)20-15/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyBZUHIEQYBQNFGC-UHFFFAOYSA-N
XLogP3.38
TPSA72.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[(5-methoxy-1-benzofuran-2-yl)methylamino]-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

7-[(4-methoxyphenyl)methylamino]-4H-1,4-benzoxazin-3-one
CID 24886438
7-[(3-methoxy-4-methylphenyl)methylamino]-4H-1,4-benzoxazin-3-one
CID 99840885
7-[(4-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one
CID 24867130
7-[(2-methylphenyl)methylamino]-4H-1,4-benzoxazin-3-one
CID 82212135
6-[(5-methylfuran-2-yl)methylamino]-4H-1,4-benzoxazin-3-one
CID 28651607
7-(1H-pyrazol-5-ylmethylamino)-4H-1,4-benzoxazin-3-one
CID 75521753
6-methoxy-4H-1,4-benzoxazin-3-one
CID 13204952
7-methoxy-4H-1,4-benzoxazin-3-one;7-methoxy-3,4-dihydro-2H-1,4-benzoxazine
CID 167586416
N-(1-benzofuran-2-ylmethyl)-4-methoxyaniline
CID 28619697
2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
CID 46911637
7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4H-1,4-benzoxazin-3-one
CID 71180918
N-(4-methoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 22548325

Frequently Asked Questions

What is the IUPAC name of 7-[(5-methoxy-1-benzofuran-2-yl)methylamino]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-[(5-methoxy-1-benzofuran-2-yl)methylamino]-4H-1,4-benzoxazin-3-one (CID 75521748) is 7-[(5-methoxy-1-benzofuran-2-yl)methylamino]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-[(5-methoxy-1-benzofuran-2-yl)methylamino]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-[(5-methoxy-1-benzofuran-2-yl)methylamino]-4H-1,4-benzoxazin-3-one is COc1ccc2oc(CNc3ccc4c(c3)OCC(=O)N4)cc2c1.
What is the InChIKey of 7-[(5-methoxy-1-benzofuran-2-yl)methylamino]-4H-1,4-benzoxazin-3-one?
The InChIKey is BZUHIEQYBQNFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-22-13-3-5-16-11(6-13)7-14(24-16)9-19-12-2-4-15-17(8-12)23-10-18(21)20-15/h2-8,19H,9-10H2,1H3,(H,20,21).
What are the key properties of 7-[(5-methoxy-1-benzofuran-2-yl)methylamino]-4H-1,4-benzoxazin-3-one?
7-[(5-methoxy-1-benzofuran-2-yl)methylamino]-4H-1,4-benzoxazin-3-one has a molecular weight of 324.34 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-methoxy-1-benzofuran-2-yl)methylamino]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 75521748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).