(11Z)-8-methoxy-1,3,11-trimethyl-5-(4-methylphenyl)sulfonyl-6H-pyrimido[5,4-c][2]benzazocine-2,4-dione

C24H25N3O5S — CID 134833314

IUPAC(11Z)-8-methoxy-1,3,11-trimethyl-5-(4-methylphenyl)sulfonyl-6H-pyrimido[5,4-c][2]benzazocine-2,4-dione
SMILESCOc1ccc2c(c1)CN(S(=O)(=O)c1ccc(C)cc1)c1c(n(C)c(=O)n(C)c1=O)/C=C\2C
InChIInChI=1S/C24H25N3O5S/c1-15-6-9-19(10-7-15)33(30,31)27-14-17-13-18(32-5)8-11-20(17)16(2)12-21-22(27)23(28)26(4)24(29)25(21)3/h6-13H,14H2,1-5H3/b16-12-
InChIKeyVIKRDGFSLKVVLB-VBKFSLOCSA-N
MW467.55 g/mol
LogP2.67
Rot. Bonds3

About (11Z)-8-methoxy-1,3,11-trimethyl-5-(4-methylphenyl)sulfonyl-6H-pyrimido[5,4-c][2]benzazocine-2,4-dione

(11Z)-8-methoxy-1,3,11-trimethyl-5-(4-methylphenyl)sulfonyl-6H-pyrimido[5,4-c][2]benzazocine-2,4-dione (PubChem CID 134833314) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is (11Z)-8-methoxy-1,3,11-trimethyl-5-(4-methylphenyl)sulfonyl-6H-pyrimido[5,4-c][2]benzazocine-2,4-dione.

Molecular Properties

Compound Name(11Z)-8-methoxy-1,3,11-trimethyl-5-(4-methylphenyl)sulfonyl-6H-pyrimido[5,4-c][2]benzazocine-2,4-dione
PubChem CID134833314
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC Name(11Z)-8-methoxy-1,3,11-trimethyl-5-(4-methylphenyl)sulfonyl-6H-pyrimido[5,4-c][2]benzazocine-2,4-dione
SMILESCOc1ccc2c(c1)CN(S(=O)(=O)c1ccc(C)cc1)c1c(n(C)c(=O)n(C)c1=O)/C=C\2C
InChIInChI=1S/C24H25N3O5S/c1-15-6-9-19(10-7-15)33(30,31)27-14-17-13-18(32-5)8-11-20(17)16(2)12-21-22(27)23(28)26(4)24(29)25(21)3/h6-13H,14H2,1-5H3/b16-12-
InChIKeyVIKRDGFSLKVVLB-VBKFSLOCSA-N
XLogP2.67
TPSA90.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dimethyl-11-methylidene-5-(4-methylphenyl)sulfonyl-6,12-dihydropyrimido[5,4-c][2]benzazocine-2,4-dione
CID 134833317
7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 10568487
7-methoxy-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-quinoxaline
CID 175202252
7-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 44723602
3-ethyl-6-methoxy-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 102288199
7-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110635683
(3E)-6-methoxy-1-(4-methylphenyl)sulfonyl-3-(pyridin-4-ylmethylidene)-2H-quinolin-4-one
CID 6510018
8-methoxy-3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-3-benzazepin-2-one
CID 155907231
8-methoxy-1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-4-ol
CID 10712674
3-methoxy-6,9-dimethyl-7H-benzo[d][2]benzazepin-5-one
CID 167573270
3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 101387033
5-(4-methoxy-2,6-dimethylphenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-4-ol
CID 101418366

Frequently Asked Questions

What is the IUPAC name of (11Z)-8-methoxy-1,3,11-trimethyl-5-(4-methylphenyl)sulfonyl-6H-pyrimido[5,4-c][2]benzazocine-2,4-dione?
The IUPAC name of (11Z)-8-methoxy-1,3,11-trimethyl-5-(4-methylphenyl)sulfonyl-6H-pyrimido[5,4-c][2]benzazocine-2,4-dione (CID 134833314) is (11Z)-8-methoxy-1,3,11-trimethyl-5-(4-methylphenyl)sulfonyl-6H-pyrimido[5,4-c][2]benzazocine-2,4-dione.
What is the SMILES notation for (11Z)-8-methoxy-1,3,11-trimethyl-5-(4-methylphenyl)sulfonyl-6H-pyrimido[5,4-c][2]benzazocine-2,4-dione?
The canonical SMILES for (11Z)-8-methoxy-1,3,11-trimethyl-5-(4-methylphenyl)sulfonyl-6H-pyrimido[5,4-c][2]benzazocine-2,4-dione is COc1ccc2c(c1)CN(S(=O)(=O)c1ccc(C)cc1)c1c(n(C)c(=O)n(C)c1=O)/C=C\2C.
What is the InChIKey of (11Z)-8-methoxy-1,3,11-trimethyl-5-(4-methylphenyl)sulfonyl-6H-pyrimido[5,4-c][2]benzazocine-2,4-dione?
The InChIKey is VIKRDGFSLKVVLB-VBKFSLOCSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-15-6-9-19(10-7-15)33(30,31)27-14-17-13-18(32-5)8-11-20(17)16(2)12-21-22(27)23(28)26(4)24(29)25(21)3/h6-13H,14H2,1-5H3/b16-12-.
What are the key properties of (11Z)-8-methoxy-1,3,11-trimethyl-5-(4-methylphenyl)sulfonyl-6H-pyrimido[5,4-c][2]benzazocine-2,4-dione?
(11Z)-8-methoxy-1,3,11-trimethyl-5-(4-methylphenyl)sulfonyl-6H-pyrimido[5,4-c][2]benzazocine-2,4-dione has a molecular weight of 467.55 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z)-8-methoxy-1,3,11-trimethyl-5-(4-methylphenyl)sulfonyl-6H-pyrimido[5,4-c][2]benzazocine-2,4-dione is sourced from PubChem (CID 134833314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).