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

C133H134N22O18S2 — CID 159246343

IUPAC6-(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
SMILESCc1cc(C)cc(Nc2cc(-c3ccc4c(c3)N(CCN3CCOCC3)C(=O)CO4)ccn2)c1.NS(=O)(=O)c1ccc(Nc2cc(-c3ccc4c(c3)N(CCN3CCOCC3)C(=O)CO4)ccn2)cc1.NS(=O)(=O)c1cccc(Nc2cc(-c3ccc4c(c3)N(CCN3CCOCC3)C(=O)CO4)ccn2)c1.O=C1COc2ccc(-c3ccnc(Nc4cccc(-c5ccccc5)c4)c3)cc2N1CCN1CCOCC1.O=C1COc2ccc(-c3ccnc(Nc4ccccc4)c3)cc2N1Cc1cccnc1
InChIInChI=1S/C31H30N4O3.C27H30N4O3.2C25H27N5O5S.C25H20N4O2/c36-31-22-38-29-10-9-25(20-28(29)35(31)14-13-34-15-17-37-18-16-34)26-11-12-32-30(21-26)33-27-8-4-7-24(19-27)23-5-2-1-3-6-23;1-19-13-20(2)15-23(14-19)29-26-17-22(5-6-28-26)21-3-4-25-24(16-21)31(27(32)18-34-25)8-7-30-9-11-33-12-10-30;26-36(32,33)21-4-2-20(3-5-21)28-24-16-19(7-8-27-24)18-1-6-23-22(15-18)30(25(31)17-35-23)10-9-29-11-13-34-14-12-29;26-36(32,33)21-3-1-2-20(16-21)28-24-15-19(6-7-27-24)18-4-5-23-22(14-18)30(25(31)17-35-23)9-8-29-10-12-34-13-11-29;30-25-17-31-23-9-8-19(13-22(23)29(25)16-18-5-4-11-26-15-18)20-10-12-27-24(14-20)28-21-6-2-1-3-7-21/h1-12,19-21H,13-18,22H2,(H,32,33);3-6,13-17H,7-12,18H2,1-2H3,(H,28,29);1-8,15-16H,9-14,17H2,(H,27,28)(H2,26,32,33);1-7,14-16H,8-13,17H2,(H,27,28)(H2,26,32,33);1-15H,16-17H2,(H,27,28)
InChIKeyKUSPUUBDLUPQFG-UHFFFAOYSA-N
MW2392.80 g/mol
LogP18.59
Rot. Bonds32

About 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

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 (PubChem CID 159246343) has the molecular formula C133H134N22O18S2 and a molecular weight of 2392.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID159246343
Molecular FormulaC133H134N22O18S2
Molecular Weight2392.80 g/mol
Exact Mass2390.97
IUPAC Name6-(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
SMILESCc1cc(C)cc(Nc2cc(-c3ccc4c(c3)N(CCN3CCOCC3)C(=O)CO4)ccn2)c1.NS(=O)(=O)c1ccc(Nc2cc(-c3ccc4c(c3)N(CCN3CCOCC3)C(=O)CO4)ccn2)cc1.NS(=O)(=O)c1cccc(Nc2cc(-c3ccc4c(c3)N(CCN3CCOCC3)C(=O)CO4)ccn2)c1.O=C1COc2ccc(-c3ccnc(Nc4cccc(-c5ccccc5)c4)c3)cc2N1CCN1CCOCC1.O=C1COc2ccc(-c3ccnc(Nc4ccccc4)c3)cc2N1Cc1cccnc1
InChIInChI=1S/C31H30N4O3.C27H30N4O3.2C25H27N5O5S.C25H20N4O2/c36-31-22-38-29-10-9-25(20-28(29)35(31)14-13-34-15-17-37-18-16-34)26-11-12-32-30(21-26)33-27-8-4-7-24(19-27)23-5-2-1-3-6-23;1-19-13-20(2)15-23(14-19)29-26-17-22(5-6-28-26)21-3-4-25-24(16-21)31(27(32)18-34-25)8-7-30-9-11-33-12-10-30;26-36(32,33)21-4-2-20(3-5-21)28-24-16-19(7-8-27-24)18-1-6-23-22(15-18)30(25(31)17-35-23)10-9-29-11-13-34-14-12-29;26-36(32,33)21-3-1-2-20(16-21)28-24-15-19(6-7-27-24)18-4-5-23-22(14-18)30(25(31)17-35-23)9-8-29-10-12-34-13-11-29;30-25-17-31-23-9-8-19(13-22(23)29(25)16-18-5-4-11-26-15-18)20-10-12-27-24(14-20)28-21-6-2-1-3-7-21/h1-12,19-21H,13-18,22H2,(H,32,33);3-6,13-17H,7-12,18H2,1-2H3,(H,28,29);1-8,15-16H,9-14,17H2,(H,27,28)(H2,26,32,33);1-7,14-16H,8-13,17H2,(H,27,28)(H2,26,32,33);1-15H,16-17H2,(H,27,28)
InChIKeyKUSPUUBDLUPQFG-UHFFFAOYSA-N
XLogP18.59
TPSA455.39 Ų
H-Bond Donors7
H-Bond Acceptors33
Rotatable Bonds32
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002392.80
LogP ≤ 518.59
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1033

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
6-(2-anilino-4-pyridinyl)-4-methyl-1,4-benzoxazin-3-one;ethane
CID 90868639
6-[2-(3-fluoroanilino)pyrimidin-4-yl]-4-(2-morpholin-4-ylethyl)-1,4-benzoxazin-3-one
CID 11744429
6-[2-(3-chloroanilino)pyrimidin-4-yl]-4-(2-morpholin-4-ylethyl)-1,4-benzoxazin-3-one
CID 10479636
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
3-[[4-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)amino]-5-fluoropyrimidin-2-yl]amino]benzenesulfonamide
CID 67047010
3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide
CID 10430851
(3-chlorophenyl)-[4-[3-oxo-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-6-yl]-2-pyridinyl]azanium
CID 142893450
6-[2-(3-methoxyanilino)-4-pyridinyl]-4-methyl-1,4-benzoxazin-3-one
CID 10338616
4-(2-morpholin-4-ylethyl)-6-(1,3-thiazol-4-yl)-1,4-benzoxazin-3-one
CID 39086444
6-[2-(3-methoxysulfanylanilino)pyrimidin-4-yl]-4-(pyridin-4-ylmethyl)-1,4-benzoxazin-3-one
CID 142893523
3-[[4-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-pyridinyl]amino]benzenesulfonamide
CID 142168234

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C)cc(Nc2cc(-c3ccc4c(c3)N(CCN3CCOCC3)C(=O)CO4)ccn2)c1.NS(=O)(=O)c1ccc(Nc2cc(-c3ccc4c(c3)N(CCN3CCOCC3)C(=O)CO4)ccn2)cc1.NS(=O)(=O)c1cccc(Nc2cc(-c3ccc4c(c3)N(CCN3CCOCC3)C(=O)CO4)ccn2)c1.O=C1COc2ccc(-c3ccnc(Nc4cccc(-c5ccccc5)c4)c3)cc2N1CCN1CCOCC1.O=C1COc2ccc(-c3ccnc(Nc4ccccc4)c3)cc2N1Cc1cccnc1.
What is the InChIKey of 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?
The InChIKey is KUSPUUBDLUPQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4O3.C27H30N4O3.2C25H27N5O5S.C25H20N4O2/c36-31-22-38-29-10-9-25(20-28(29)35(31)14-13-34-15-17-37-18-16-34)26-11-12-32-30(21-26)33-27-8-4-7-24(19-27)23-5-2-1-3-6-23;1-19-13-20(2)15-23(14-19)29-26-17-22(5-6-28-26)21-3-4-25-24(16-21)31(27(32)18-34-25)8-7-30-9-11-33-12-10-30;26-36(32,33)21-4-2-20(3-5-21)28-24-16-19(7-8-27-24)18-1-6-23-22(15-18)30(25(31)17-35-23)10-9-29-11-13-34-14-12-29;26-36(32,33)21-3-1-2-20(16-21)28-24-15-19(6-7-27-24)18-4-5-23-22(14-18)30(25(31)17-35-23)9-8-29-10-12-34-13-11-29;30-25-17-31-23-9-8-19(13-22(23)29(25)16-18-5-4-11-26-15-18)20-10-12-27-24(14-20)28-21-6-2-1-3-7-21/h1-12,19-21H,13-18,22H2,(H,32,33);3-6,13-17H,7-12,18H2,1-2H3,(H,28,29);1-8,15-16H,9-14,17H2,(H,27,28)(H2,26,32,33);1-7,14-16H,8-13,17H2,(H,27,28)(H2,26,32,33);1-15H,16-17H2,(H,27,28).
What are the key properties of 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?
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 has a molecular weight of 2392.80 g/mol, XLogP of 18.59, 32 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159246343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).