4-[[4-[4-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide

C24H26N6O5S — CID 11756071

IUPAC4-[[4-[4-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nccc(-c3ccc4c(c3)N(CCN3CCOCC3)C(=O)CO4)n2)cc1
InChIInChI=1S/C24H26N6O5S/c25-36(32,33)19-4-2-18(3-5-19)27-24-26-8-7-20(28-24)17-1-6-22-21(15-17)30(23(31)16-35-22)10-9-29-11-13-34-14-12-29/h1-8,15H,9-14,16H2,(H2,25,32,33)(H,26,27,28)
InChIKeyWMWNFNLWKJABRZ-UHFFFAOYSA-N
MW510.58 g/mol
LogP1.59
Rot. Bonds7

About 4-[[4-[4-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide

4-[[4-[4-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 11756071) has the molecular formula C24H26N6O5S and a molecular weight of 510.58 g/mol. Its IUPAC name is 4-[[4-[4-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-[4-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID11756071
Molecular FormulaC24H26N6O5S
Molecular Weight510.58 g/mol
Exact Mass510.17
IUPAC Name4-[[4-[4-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nccc(-c3ccc4c(c3)N(CCN3CCOCC3)C(=O)CO4)n2)cc1
InChIInChI=1S/C24H26N6O5S/c25-36(32,33)19-4-2-18(3-5-19)27-24-26-8-7-20(28-24)17-1-6-22-21(15-17)30(23(31)16-35-22)10-9-29-11-13-34-14-12-29/h1-8,15H,9-14,16H2,(H2,25,32,33)(H,26,27,28)
InChIKeyWMWNFNLWKJABRZ-UHFFFAOYSA-N
XLogP1.59
TPSA139.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.58
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[[4-[4-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-({2-Amino-6-Ethyl-5-[4-(3-Methoxypropyl)-2,2-Dimethyl-3-Oxo-3,4-Dihydro-2h-1,4-Benzoxazin-6-Yl]pyrimidin-4-Yl}amino)ethyl]naphthalene-2-Sulfonamide
CID 11963547
6-[2-[4-(2-methylquinazolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 10341129
4-Ethyl-6-[[5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-yl]amino]-8-[(4-methylpiperazin-1-yl)methyl]-1,4-benzoxazin-3-one
CID 168269275
4-Ethyl-8-[(4-ethylpiperazin-1-yl)methyl]-6-[[5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-yl]amino]-1,4-benzoxazin-3-one
CID 168282198
4-Ethyl-6-[[5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-yl]amino]-8-(piperazin-1-ylmethyl)-1,4-benzoxazin-3-one
CID 168291258
4-Ethyl-6-[[5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-yl]amino]-8-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,4-benzoxazin-3-one
CID 168291402
8-[(4-Acetylpiperazin-1-yl)methyl]-4-ethyl-6-[[5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-yl]amino]-1,4-benzoxazin-3-one
CID 168296796
4-Ethyl-6-[[5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-yl]amino]-8-(morpholin-4-ylmethyl)-1,4-benzoxazin-3-one
CID 168296859
4-Ethyl-6-[[5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-yl]amino]-8-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,4-benzoxazin-3-one
CID 168297195
N-[2-(dimethylamino)ethyl]-4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 139390037
1-[4-[6-[[5-Fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
CID 139390056
2-(dimethylamino)-1-[6-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 139390068

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-[4-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide (CID 11756071) is 4-[[4-[4-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-[4-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-[4-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2nccc(-c3ccc4c(c3)N(CCN3CCOCC3)C(=O)CO4)n2)cc1.
What is the InChIKey of 4-[[4-[4-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is WMWNFNLWKJABRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O5S/c25-36(32,33)19-4-2-18(3-5-19)27-24-26-8-7-20(28-24)17-1-6-22-21(15-17)30(23(31)16-35-22)10-9-29-11-13-34-14-12-29/h1-8,15H,9-14,16H2,(H2,25,32,33)(H,26,27,28).
What are the key properties of 4-[[4-[4-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide?
4-[[4-[4-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 510.58 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 11756071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).