6-[2-(3-methoxyanilino)-4-pyridinyl]-4-methyl-1,4-benzoxazin-3-one

C21H19N3O3 — CID 10338616

IUPAC6-[2-(3-methoxyanilino)-4-pyridinyl]-4-methyl-1,4-benzoxazin-3-one
SMILESCOc1cccc(Nc2cc(-c3ccc4c(c3)N(C)C(=O)CO4)ccn2)c1
InChIInChI=1S/C21H19N3O3/c1-24-18-10-14(6-7-19(18)27-13-21(24)25)15-8-9-22-20(11-15)23-16-4-3-5-17(12-16)26-2/h3-12H,13H2,1-2H3,(H,22,23)
InChIKeyBSSDFOBJEJMRNB-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.86
Rot. Bonds4

About 6-[2-(3-methoxyanilino)-4-pyridinyl]-4-methyl-1,4-benzoxazin-3-one

6-[2-(3-methoxyanilino)-4-pyridinyl]-4-methyl-1,4-benzoxazin-3-one (PubChem CID 10338616) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 6-[2-(3-methoxyanilino)-4-pyridinyl]-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[2-(3-methoxyanilino)-4-pyridinyl]-4-methyl-1,4-benzoxazin-3-one
PubChem CID10338616
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name6-[2-(3-methoxyanilino)-4-pyridinyl]-4-methyl-1,4-benzoxazin-3-one
SMILESCOc1cccc(Nc2cc(-c3ccc4c(c3)N(C)C(=O)CO4)ccn2)c1
InChIInChI=1S/C21H19N3O3/c1-24-18-10-14(6-7-19(18)27-13-21(24)25)15-8-9-22-20(11-15)23-16-4-3-5-17(12-16)26-2/h3-12H,13H2,1-2H3,(H,22,23)
InChIKeyBSSDFOBJEJMRNB-UHFFFAOYSA-N
XLogP3.86
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-anilino-4-pyridinyl)-4-methyl-1,4-benzoxazin-3-one;ethane
CID 90868639
6-(4-methoxyphenyl)-4-methyl-1,4-benzoxazin-3-one
CID 117001096
(3,5-dimethoxyphenyl)-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]azanium
CID 142893432
methyl 2-(3-methoxyanilino)pyridine-4-carboxylate
CID 68663874
6-[4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-pyridinyl]-4-methyl-1,4-benzoxazin-3-one
CID 44722665
3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzonitrile;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide
CID 158272294
2-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)azetidine-1-carboxamide
CID 72855696
3,4-dihydro-1H-isoquinolin-2-yl-[2-(3-methoxyanilino)-4-pyridinyl]methanone
CID 109172363
N-[2-(3-methoxyanilino)-4-pyridinyl]hydroxylamine
CID 170189455
4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidine-2-carbonitrile
CID 116900870
N-[[3-[2-(3-methoxyanilino)-4-pyridinyl]phenyl]methyl]furan-2-carboxamide
CID 91068337
N-(3-methoxyphenyl)-4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]pyridin-2-amine
CID 142168296

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methoxyanilino)-4-pyridinyl]-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-[2-(3-methoxyanilino)-4-pyridinyl]-4-methyl-1,4-benzoxazin-3-one (CID 10338616) is 6-[2-(3-methoxyanilino)-4-pyridinyl]-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[2-(3-methoxyanilino)-4-pyridinyl]-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[2-(3-methoxyanilino)-4-pyridinyl]-4-methyl-1,4-benzoxazin-3-one is COc1cccc(Nc2cc(-c3ccc4c(c3)N(C)C(=O)CO4)ccn2)c1.
What is the InChIKey of 6-[2-(3-methoxyanilino)-4-pyridinyl]-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is BSSDFOBJEJMRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-24-18-10-14(6-7-19(18)27-13-21(24)25)15-8-9-22-20(11-15)23-16-4-3-5-17(12-16)26-2/h3-12H,13H2,1-2H3,(H,22,23).
What are the key properties of 6-[2-(3-methoxyanilino)-4-pyridinyl]-4-methyl-1,4-benzoxazin-3-one?
6-[2-(3-methoxyanilino)-4-pyridinyl]-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 361.40 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methoxyanilino)-4-pyridinyl]-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 10338616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).