2-(4-methoxyanilino)-3,1-benzoxazin-4-one

C15H12N2O3 — CID 2754472

IUPAC2-(4-methoxyanilino)-3,1-benzoxazin-4-one
SMILESCOc1ccc(Nc2nc3ccccc3c(=O)o2)cc1
InChIInChI=1S/C15H12N2O3/c1-19-11-8-6-10(7-9-11)16-15-17-13-5-3-2-4-12(13)14(18)20-15/h2-9H,1H3,(H,16,17)
InChIKeyUHVKKDSXQJGPDB-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.94
Rot. Bonds3

About 2-(4-methoxyanilino)-3,1-benzoxazin-4-one

2-(4-methoxyanilino)-3,1-benzoxazin-4-one (PubChem CID 2754472) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(4-methoxyanilino)-3,1-benzoxazin-4-one
PubChem CID2754472
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2-(4-methoxyanilino)-3,1-benzoxazin-4-one
SMILESCOc1ccc(Nc2nc3ccccc3c(=O)o2)cc1
InChIInChI=1S/C15H12N2O3/c1-19-11-8-6-10(7-9-11)16-15-17-13-5-3-2-4-12(13)14(18)20-15/h2-9H,1H3,(H,16,17)
InChIKeyUHVKKDSXQJGPDB-UHFFFAOYSA-N
XLogP2.94
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-Methoxyphenyl)amino]benzoic acid
CID 202918
6-Methoxy-2-phenyl-4-quinolone
CID 124348
6-Methoxy-2-phenyl-3,4-dihydroquinazolin-4-one
CID 135539400
6-Methoxy-2-methylquinolin-4-ol
CID 316987
2-(phenylimino)-3,4-dihydro-2H-1,3-benzoxazin-4-one
CID 2825993
2-Anilino-4H-3,1-benzoxazin-4-one
CID 589883
2-(4-methoxyanilino)-4(3H)-quinazolinone
CID 135444387
Anthranilic acid, N-(p-(difluoromethoxy)phenyl)-
CID 2398458
3-(4-Methoxyphenyl)-2-methyl-4(3H)-quinazolinone
CID 63137
Urb 754
CID 848487
6-Methoxy-2-(3-methoxy-phenyl)-1H-quinolin-4-one
CID 379510
2-(2-fluoroanilino)-4H-3,1-benzoxazin-4-one
CID 2767221

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-3,1-benzoxazin-4-one?
The IUPAC name of 2-(4-methoxyanilino)-3,1-benzoxazin-4-one (CID 2754472) is 2-(4-methoxyanilino)-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(4-methoxyanilino)-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(4-methoxyanilino)-3,1-benzoxazin-4-one is COc1ccc(Nc2nc3ccccc3c(=O)o2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-3,1-benzoxazin-4-one?
The InChIKey is UHVKKDSXQJGPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-19-11-8-6-10(7-9-11)16-15-17-13-5-3-2-4-12(13)14(18)20-15/h2-9H,1H3,(H,16,17).
What are the key properties of 2-(4-methoxyanilino)-3,1-benzoxazin-4-one?
2-(4-methoxyanilino)-3,1-benzoxazin-4-one has a molecular weight of 268.27 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-3,1-benzoxazin-4-one is sourced from PubChem (CID 2754472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).