7-chloro-3-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione

C22H19ClN4O5S — CID 71255468

IUPAC7-chloro-3-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione
SMILESO=C1CSc2ccc(N3C[C@@H](CCCn4c(=O)[nH]c5cc(Cl)ccc5c4=O)OC3=O)cc2N1
InChIInChI=1S/C22H19ClN4O5S/c23-12-3-5-15-16(8-12)25-21(30)26(20(15)29)7-1-2-14-10-27(22(31)32-14)13-4-6-18-17(9-13)24-19(28)11-33-18/h3-6,8-9,14H,1-2,7,10-11H2,(H,24,28)(H,25,30)/t14-/m1/s1
InChIKeyYXNKAWOWTWNNQQ-CQSZACIVSA-N
MW486.94 g/mol
LogP3.19
Rot. Bonds5

About 7-chloro-3-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione

7-chloro-3-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione (PubChem CID 71255468) has the molecular formula C22H19ClN4O5S and a molecular weight of 486.94 g/mol. Its IUPAC name is 7-chloro-3-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-chloro-3-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione
PubChem CID71255468
Molecular FormulaC22H19ClN4O5S
Molecular Weight486.94 g/mol
Exact Mass486.08
IUPAC Name7-chloro-3-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione
SMILESO=C1CSc2ccc(N3C[C@@H](CCCn4c(=O)[nH]c5cc(Cl)ccc5c4=O)OC3=O)cc2N1
InChIInChI=1S/C22H19ClN4O5S/c23-12-3-5-15-16(8-12)25-21(30)26(20(15)29)7-1-2-14-10-27(22(31)32-14)13-4-6-18-17(9-13)24-19(28)11-33-18/h3-6,8-9,14H,1-2,7,10-11H2,(H,24,28)(H,25,30)/t14-/m1/s1
InChIKeyYXNKAWOWTWNNQQ-CQSZACIVSA-N
XLogP3.19
TPSA113.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.94
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 7-chloro-3-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione (CID 71255468) is 7-chloro-3-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-chloro-3-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-chloro-3-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione is O=C1CSc2ccc(N3C[C@@H](CCCn4c(=O)[nH]c5cc(Cl)ccc5c4=O)OC3=O)cc2N1.
What is the InChIKey of 7-chloro-3-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione?
The InChIKey is YXNKAWOWTWNNQQ-CQSZACIVSA-N. The full InChI is InChI=1S/C22H19ClN4O5S/c23-12-3-5-15-16(8-12)25-21(30)26(20(15)29)7-1-2-14-10-27(22(31)32-14)13-4-6-18-17(9-13)24-19(28)11-33-18/h3-6,8-9,14H,1-2,7,10-11H2,(H,24,28)(H,25,30)/t14-/m1/s1.
What are the key properties of 7-chloro-3-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione?
7-chloro-3-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione has a molecular weight of 486.94 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[3-[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 71255468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).