6-(2-anilino-4-pyridinyl)-4-methyl-1,4-benzoxazin-3-one;ethane

C22H23N3O2 — CID 90868639

IUPAC6-(2-anilino-4-pyridinyl)-4-methyl-1,4-benzoxazin-3-one;ethane
SMILESCC.CN1C(=O)COc2ccc(-c3ccnc(Nc4ccccc4)c3)cc21
InChIInChI=1S/C20H17N3O2.C2H6/c1-23-17-11-14(7-8-18(17)25-13-20(23)24)15-9-10-21-19(12-15)22-16-5-3-2-4-6-16;1-2/h2-12H,13H2,1H3,(H,21,22);1-2H3
InChIKeyJKFCEKHLRALXTI-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.87
Rot. Bonds3

About 6-(2-anilino-4-pyridinyl)-4-methyl-1,4-benzoxazin-3-one;ethane

6-(2-anilino-4-pyridinyl)-4-methyl-1,4-benzoxazin-3-one;ethane (PubChem CID 90868639) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 6-(2-anilino-4-pyridinyl)-4-methyl-1,4-benzoxazin-3-one;ethane.

Molecular Properties

Compound Name6-(2-anilino-4-pyridinyl)-4-methyl-1,4-benzoxazin-3-one;ethane
PubChem CID90868639
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name6-(2-anilino-4-pyridinyl)-4-methyl-1,4-benzoxazin-3-one;ethane
SMILESCC.CN1C(=O)COc2ccc(-c3ccnc(Nc4ccccc4)c3)cc21
InChIInChI=1S/C20H17N3O2.C2H6/c1-23-17-11-14(7-8-18(17)25-13-20(23)24)15-9-10-21-19(12-15)22-16-5-3-2-4-6-16;1-2/h2-12H,13H2,1H3,(H,21,22);1-2H3
InChIKeyJKFCEKHLRALXTI-UHFFFAOYSA-N
XLogP4.87
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(3-methoxyanilino)-4-pyridinyl]-4-methyl-1,4-benzoxazin-3-one
CID 10338616
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
4-methyl-3-oxo-N-pyridin-2-yl-1,4-benzoxazine-6-carboxamide
CID 110763923
4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidine-2-carbonitrile
CID 116900870
6-(4-methoxyphenyl)-4-methyl-1,4-benzoxazin-3-one
CID 117001096
ethane;4-methyl-1,4-benzoxazin-3-one
CID 91027337
6-[2-(cyclohexa-1,5-dien-1-ylamino)pyrimidin-4-yl]-4-methyl-1,4-benzoxazin-3-one
CID 163770888
6-(2-hydrazinyl-1H-imidazol-5-yl)-4-methyl-1,4-benzoxazin-3-one
CID 116884146
6-(2-anilino-4-pyridinyl)-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-3-one;6-[2-(3,5-dimethylanilino)-4-pyridinyl]-4-(2-morpholin-4-ylethyl)-1,4-benzoxazin-3-one;3-[[4-[4-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzoxazin-6-yl]-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[4-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzoxazin-6-yl]-2-pyridinyl]amino]benzenesulfonamide;4-(2-morpholin-4-ylethyl)-6-[2-(3-phenylanilino)-4-pyridinyl]-1,4-benzoxazin-3-one
CID 159246343
6-[(3,8-diaminoimidazo[1,2-b]pyridazin-6-yl)amino]-4-methyl-1,4-benzoxazin-3-one
CID 70901028
N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide
CID 110783605
6-[2-(3-isocyanoanilino)-4-pyridinyl]-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-3-one;3-[[4-[3-oxo-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-6-yl]-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[3-oxo-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-6-yl]-2-pyridinyl]amino]benzenesulfonamide;6-[2-(3-phenoxyanilino)-4-pyridinyl]-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-3-one;6-[2-(3-phenylanilino)-4-pyridinyl]-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-3-one
CID 158684684

Frequently Asked Questions

What is the IUPAC name of 6-(2-anilino-4-pyridinyl)-4-methyl-1,4-benzoxazin-3-one;ethane?
The IUPAC name of 6-(2-anilino-4-pyridinyl)-4-methyl-1,4-benzoxazin-3-one;ethane (CID 90868639) is 6-(2-anilino-4-pyridinyl)-4-methyl-1,4-benzoxazin-3-one;ethane.
What is the SMILES notation for 6-(2-anilino-4-pyridinyl)-4-methyl-1,4-benzoxazin-3-one;ethane?
The canonical SMILES for 6-(2-anilino-4-pyridinyl)-4-methyl-1,4-benzoxazin-3-one;ethane is CC.CN1C(=O)COc2ccc(-c3ccnc(Nc4ccccc4)c3)cc21.
What is the InChIKey of 6-(2-anilino-4-pyridinyl)-4-methyl-1,4-benzoxazin-3-one;ethane?
The InChIKey is JKFCEKHLRALXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2.C2H6/c1-23-17-11-14(7-8-18(17)25-13-20(23)24)15-9-10-21-19(12-15)22-16-5-3-2-4-6-16;1-2/h2-12H,13H2,1H3,(H,21,22);1-2H3.
What are the key properties of 6-(2-anilino-4-pyridinyl)-4-methyl-1,4-benzoxazin-3-one;ethane?
6-(2-anilino-4-pyridinyl)-4-methyl-1,4-benzoxazin-3-one;ethane has a molecular weight of 361.45 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-anilino-4-pyridinyl)-4-methyl-1,4-benzoxazin-3-one;ethane is sourced from PubChem (CID 90868639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).