2-amino-6-methoxybenzoic acid;5-methoxy-2-naphthalen-1-yl-3,1-benzoxazin-4-one

C27H22N2O6 — CID 160663275

IUPAC2-amino-6-methoxybenzoic acid;5-methoxy-2-naphthalen-1-yl-3,1-benzoxazin-4-one
SMILESCOc1cccc(N)c1C(=O)O.COc1cccc2nc(-c3cccc4ccccc34)oc(=O)c12
InChIInChI=1S/C19H13NO3.C8H9NO3/c1-22-16-11-5-10-15-17(16)19(21)23-18(20-15)14-9-4-7-12-6-2-3-8-13(12)14;1-12-6-4-2-3-5(9)7(6)8(10)11/h2-11H,1H3;2-4H,9H2,1H3,(H,10,11)
InChIKeyRLYLCVGJTQHINZ-UHFFFAOYSA-N
MW470.48 g/mol
LogP4.99
Rot. Bonds4

About 2-amino-6-methoxybenzoic acid;5-methoxy-2-naphthalen-1-yl-3,1-benzoxazin-4-one

2-amino-6-methoxybenzoic acid;5-methoxy-2-naphthalen-1-yl-3,1-benzoxazin-4-one (PubChem CID 160663275) has the molecular formula C27H22N2O6 and a molecular weight of 470.48 g/mol. Its IUPAC name is 2-amino-6-methoxybenzoic acid;5-methoxy-2-naphthalen-1-yl-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-amino-6-methoxybenzoic acid;5-methoxy-2-naphthalen-1-yl-3,1-benzoxazin-4-one
PubChem CID160663275
Molecular FormulaC27H22N2O6
Molecular Weight470.48 g/mol
Exact Mass470.15
IUPAC Name2-amino-6-methoxybenzoic acid;5-methoxy-2-naphthalen-1-yl-3,1-benzoxazin-4-one
SMILESCOc1cccc(N)c1C(=O)O.COc1cccc2nc(-c3cccc4ccccc34)oc(=O)c12
InChIInChI=1S/C19H13NO3.C8H9NO3/c1-22-16-11-5-10-15-17(16)19(21)23-18(20-15)14-9-4-7-12-6-2-3-8-13(12)14;1-12-6-4-2-3-5(9)7(6)8(10)11/h2-11H,1H3;2-4H,9H2,1H3,(H,10,11)
InChIKeyRLYLCVGJTQHINZ-UHFFFAOYSA-N
XLogP4.99
TPSA124.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid
CID 70701453
2-amino-6-methoxybenzoic acid;hydrochloride
CID 46735179
1-(2,3-dimethoxyphenyl)acridine-9-carboxylic acid
CID 23057240
2-methoxy-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 143844116
4-amino-5-methoxy-2-methylquinoline-3-carboxylic acid
CID 54588453
5-amino-2-phenyl-3,1-benzoxazin-4-one
CID 141051970
methyl 1-[3-(5-methoxy-4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]pyrrolidine-2-carboxylate
CID 70305093
5-ethoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid
CID 62885349
[2-(2-methoxyphenyl)-2-oxoethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate
CID 23860088
(4-aminoquinazolin-2-yl)methyl 2,6-dimethoxybenzoate
CID 9451142
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
2-(2-methoxyphenyl)-8-methyl-3,1-benzoxazin-4-one
CID 11149809

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methoxybenzoic acid;5-methoxy-2-naphthalen-1-yl-3,1-benzoxazin-4-one?
The IUPAC name of 2-amino-6-methoxybenzoic acid;5-methoxy-2-naphthalen-1-yl-3,1-benzoxazin-4-one (CID 160663275) is 2-amino-6-methoxybenzoic acid;5-methoxy-2-naphthalen-1-yl-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-amino-6-methoxybenzoic acid;5-methoxy-2-naphthalen-1-yl-3,1-benzoxazin-4-one?
The canonical SMILES for 2-amino-6-methoxybenzoic acid;5-methoxy-2-naphthalen-1-yl-3,1-benzoxazin-4-one is COc1cccc(N)c1C(=O)O.COc1cccc2nc(-c3cccc4ccccc34)oc(=O)c12.
What is the InChIKey of 2-amino-6-methoxybenzoic acid;5-methoxy-2-naphthalen-1-yl-3,1-benzoxazin-4-one?
The InChIKey is RLYLCVGJTQHINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3.C8H9NO3/c1-22-16-11-5-10-15-17(16)19(21)23-18(20-15)14-9-4-7-12-6-2-3-8-13(12)14;1-12-6-4-2-3-5(9)7(6)8(10)11/h2-11H,1H3;2-4H,9H2,1H3,(H,10,11).
What are the key properties of 2-amino-6-methoxybenzoic acid;5-methoxy-2-naphthalen-1-yl-3,1-benzoxazin-4-one?
2-amino-6-methoxybenzoic acid;5-methoxy-2-naphthalen-1-yl-3,1-benzoxazin-4-one has a molecular weight of 470.48 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methoxybenzoic acid;5-methoxy-2-naphthalen-1-yl-3,1-benzoxazin-4-one is sourced from PubChem (CID 160663275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).