3-naphthalen-1-yl-4H-1,3-benzoxazin-2-one

C18H13NO2 — CID 67533600

IUPAC3-naphthalen-1-yl-4H-1,3-benzoxazin-2-one
SMILESO=C1Oc2ccccc2CN1c1cccc2ccccc12
InChIInChI=1S/C18H13NO2/c20-18-19(12-14-7-2-4-11-17(14)21-18)16-10-5-8-13-6-1-3-9-15(13)16/h1-11H,12H2
InChIKeyBVEFQUFCWYEZRN-UHFFFAOYSA-N
MW275.31 g/mol
LogP4.36
Rot. Bonds1

About 3-naphthalen-1-yl-4H-1,3-benzoxazin-2-one

3-naphthalen-1-yl-4H-1,3-benzoxazin-2-one (PubChem CID 67533600) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-naphthalen-1-yl-4H-1,3-benzoxazin-2-one.

Molecular Properties

Compound Name3-naphthalen-1-yl-4H-1,3-benzoxazin-2-one
PubChem CID67533600
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name3-naphthalen-1-yl-4H-1,3-benzoxazin-2-one
SMILESO=C1Oc2ccccc2CN1c1cccc2ccccc12
InChIInChI=1S/C18H13NO2/c20-18-19(12-14-7-2-4-11-17(14)21-18)16-10-5-8-13-6-1-3-9-15(13)16/h1-11H,12H2
InChIKeyBVEFQUFCWYEZRN-UHFFFAOYSA-N
XLogP4.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-4H-1,3-benzoxazin-2-one?
The IUPAC name of 3-naphthalen-1-yl-4H-1,3-benzoxazin-2-one (CID 67533600) is 3-naphthalen-1-yl-4H-1,3-benzoxazin-2-one.
What is the SMILES notation for 3-naphthalen-1-yl-4H-1,3-benzoxazin-2-one?
The canonical SMILES for 3-naphthalen-1-yl-4H-1,3-benzoxazin-2-one is O=C1Oc2ccccc2CN1c1cccc2ccccc12.
What is the InChIKey of 3-naphthalen-1-yl-4H-1,3-benzoxazin-2-one?
The InChIKey is BVEFQUFCWYEZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c20-18-19(12-14-7-2-4-11-17(14)21-18)16-10-5-8-13-6-1-3-9-15(13)16/h1-11H,12H2.
What are the key properties of 3-naphthalen-1-yl-4H-1,3-benzoxazin-2-one?
3-naphthalen-1-yl-4H-1,3-benzoxazin-2-one has a molecular weight of 275.31 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-4H-1,3-benzoxazin-2-one is sourced from PubChem (CID 67533600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).