2-(naphthalen-1-ylamino)-3,1-benzoxazin-4-one

C18H12N2O2 — CID 132576398

IUPAC2-(naphthalen-1-ylamino)-3,1-benzoxazin-4-one
SMILESO=c1oc(Nc2cccc3ccccc23)nc2ccccc12
InChIInChI=1S/C18H12N2O2/c21-17-14-9-3-4-10-16(14)20-18(22-17)19-15-11-5-7-12-6-1-2-8-13(12)15/h1-11H,(H,19,20)
InChIKeyBBTLIVOFIDIWDU-UHFFFAOYSA-N
MW288.31 g/mol
LogP4.08
Rot. Bonds2

About 2-(naphthalen-1-ylamino)-3,1-benzoxazin-4-one

2-(naphthalen-1-ylamino)-3,1-benzoxazin-4-one (PubChem CID 132576398) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(naphthalen-1-ylamino)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(naphthalen-1-ylamino)-3,1-benzoxazin-4-one
PubChem CID132576398
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name2-(naphthalen-1-ylamino)-3,1-benzoxazin-4-one
SMILESO=c1oc(Nc2cccc3ccccc23)nc2ccccc12
InChIInChI=1S/C18H12N2O2/c21-17-14-9-3-4-10-16(14)20-18(22-17)19-15-11-5-7-12-6-1-2-8-13(12)15/h1-11H,(H,19,20)
InChIKeyBBTLIVOFIDIWDU-UHFFFAOYSA-N
XLogP4.08
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylamino)-3,1-benzoxazin-4-one?
The IUPAC name of 2-(naphthalen-1-ylamino)-3,1-benzoxazin-4-one (CID 132576398) is 2-(naphthalen-1-ylamino)-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(naphthalen-1-ylamino)-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(naphthalen-1-ylamino)-3,1-benzoxazin-4-one is O=c1oc(Nc2cccc3ccccc23)nc2ccccc12.
What is the InChIKey of 2-(naphthalen-1-ylamino)-3,1-benzoxazin-4-one?
The InChIKey is BBTLIVOFIDIWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c21-17-14-9-3-4-10-16(14)20-18(22-17)19-15-11-5-7-12-6-1-2-8-13(12)15/h1-11H,(H,19,20).
What are the key properties of 2-(naphthalen-1-ylamino)-3,1-benzoxazin-4-one?
2-(naphthalen-1-ylamino)-3,1-benzoxazin-4-one has a molecular weight of 288.31 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylamino)-3,1-benzoxazin-4-one is sourced from PubChem (CID 132576398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).