N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)naphthalene-1-carboxamide

C20H14N2O3 — CID 54247237

IUPACN-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)naphthalene-1-carboxamide
SMILESCN(C(=O)c1cccc2ccccc12)c1nc2ccccc2c(=O)o1
InChIInChI=1S/C20H14N2O3/c1-22(20-21-17-12-5-4-10-16(17)19(24)25-20)18(23)15-11-6-8-13-7-2-3-9-14(13)15/h2-12H,1H3
InChIKeyQUDAUBHHQJSPNJ-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.62
Rot. Bonds2

About N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)naphthalene-1-carboxamide

N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)naphthalene-1-carboxamide (PubChem CID 54247237) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)naphthalene-1-carboxamide
PubChem CID54247237
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC NameN-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)naphthalene-1-carboxamide
SMILESCN(C(=O)c1cccc2ccccc12)c1nc2ccccc2c(=O)o1
InChIInChI=1S/C20H14N2O3/c1-22(20-21-17-12-5-4-10-16(17)19(24)25-20)18(23)15-11-6-8-13-7-2-3-9-14(13)15/h2-12H,1H3
InChIKeyQUDAUBHHQJSPNJ-UHFFFAOYSA-N
XLogP3.62
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)naphthalene-1-carboxamide?
The IUPAC name of N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)naphthalene-1-carboxamide (CID 54247237) is N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)naphthalene-1-carboxamide is CN(C(=O)c1cccc2ccccc12)c1nc2ccccc2c(=O)o1.
What is the InChIKey of N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)naphthalene-1-carboxamide?
The InChIKey is QUDAUBHHQJSPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3/c1-22(20-21-17-12-5-4-10-16(17)19(24)25-20)18(23)15-11-6-8-13-7-2-3-9-14(13)15/h2-12H,1H3.
What are the key properties of N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)naphthalene-1-carboxamide?
N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)naphthalene-1-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 54247237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).