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

C19H20N2O3 — CID 75518165

IUPAC7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-4H-1,4-benzoxazin-3-one
SMILESCC1(C)Cc2cccc(CNc3ccc4c(c3)OCC(=O)N4)c2O1
InChIInChI=1S/C19H20N2O3/c1-19(2)9-12-4-3-5-13(18(12)24-19)10-20-14-6-7-15-16(8-14)23-11-17(22)21-15/h3-8,20H,9-11H2,1-2H3,(H,21,22)
InChIKeyANMNKSUFGUPNFB-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.34
Rot. Bonds3

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

7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-4H-1,4-benzoxazin-3-one (PubChem CID 75518165) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-4H-1,4-benzoxazin-3-one
PubChem CID75518165
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-4H-1,4-benzoxazin-3-one
SMILESCC1(C)Cc2cccc(CNc3ccc4c(c3)OCC(=O)N4)c2O1
InChIInChI=1S/C19H20N2O3/c1-19(2)9-12-4-3-5-13(18(12)24-19)10-20-14-6-7-15-16(8-14)23-11-17(22)21-15/h3-8,20H,9-11H2,1-2H3,(H,21,22)
InChIKeyANMNKSUFGUPNFB-UHFFFAOYSA-N
XLogP3.34
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-4H-1,4-benzoxazin-3-one (CID 75518165) is 7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-4H-1,4-benzoxazin-3-one is CC1(C)Cc2cccc(CNc3ccc4c(c3)OCC(=O)N4)c2O1.
What is the InChIKey of 7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-4H-1,4-benzoxazin-3-one?
The InChIKey is ANMNKSUFGUPNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-19(2)9-12-4-3-5-13(18(12)24-19)10-20-14-6-7-15-16(8-14)23-11-17(22)21-15/h3-8,20H,9-11H2,1-2H3,(H,21,22).
What are the key properties of 7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-4H-1,4-benzoxazin-3-one?
7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-4H-1,4-benzoxazin-3-one has a molecular weight of 324.38 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 75518165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).