7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-[1,2,5]thiadiazolo[3,4-c]quinoline 2,2-dioxide

C22H21N5O4S — CID 122705108

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-[1,2,5]thiadiazolo[3,4-c]quinoline 2,2-dioxide
SMILESCOc1cc2c3c(cnc2cc1-c1c(C)noc1C)NS(=O)(=O)N3[C@H](C)c1ccccn1
InChIInChI=1S/C22H21N5O4S/c1-12-21(14(3)31-25-12)16-9-18-15(10-20(16)30-4)22-19(11-24-18)26-32(28,29)27(22)13(2)17-7-5-6-8-23-17/h5-11,13,26H,1-4H3/t13-/m1/s1
InChIKeyAYJMTLKOXHZRIK-CYBMUJFWSA-N
MW451.51 g/mol
LogP4.15
Rot. Bonds4

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-[1,2,5]thiadiazolo[3,4-c]quinoline 2,2-dioxide

7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-[1,2,5]thiadiazolo[3,4-c]quinoline 2,2-dioxide (PubChem CID 122705108) has the molecular formula C22H21N5O4S and a molecular weight of 451.51 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-[1,2,5]thiadiazolo[3,4-c]quinoline 2,2-dioxide.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-[1,2,5]thiadiazolo[3,4-c]quinoline 2,2-dioxide
PubChem CID122705108
Molecular FormulaC22H21N5O4S
Molecular Weight451.51 g/mol
Exact Mass451.13
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-[1,2,5]thiadiazolo[3,4-c]quinoline 2,2-dioxide
SMILESCOc1cc2c3c(cnc2cc1-c1c(C)noc1C)NS(=O)(=O)N3[C@H](C)c1ccccn1
InChIInChI=1S/C22H21N5O4S/c1-12-21(14(3)31-25-12)16-9-18-15(10-20(16)30-4)22-19(11-24-18)26-32(28,29)27(22)13(2)17-7-5-6-8-23-17/h5-11,13,26H,1-4H3/t13-/m1/s1
InChIKeyAYJMTLKOXHZRIK-CYBMUJFWSA-N
XLogP4.15
TPSA110.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-[1,2,5]thiadiazolo[3,4-c]quinoline 2,2-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-[1,2,5]thiadiazolo[3,4-c]quinoline 2,2-dioxide?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-[1,2,5]thiadiazolo[3,4-c]quinoline 2,2-dioxide (CID 122705108) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-[1,2,5]thiadiazolo[3,4-c]quinoline 2,2-dioxide.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-[1,2,5]thiadiazolo[3,4-c]quinoline 2,2-dioxide?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-[1,2,5]thiadiazolo[3,4-c]quinoline 2,2-dioxide is COc1cc2c3c(cnc2cc1-c1c(C)noc1C)NS(=O)(=O)N3[C@H](C)c1ccccn1.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-[1,2,5]thiadiazolo[3,4-c]quinoline 2,2-dioxide?
The InChIKey is AYJMTLKOXHZRIK-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H21N5O4S/c1-12-21(14(3)31-25-12)16-9-18-15(10-20(16)30-4)22-19(11-24-18)26-32(28,29)27(22)13(2)17-7-5-6-8-23-17/h5-11,13,26H,1-4H3/t13-/m1/s1.
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-[1,2,5]thiadiazolo[3,4-c]quinoline 2,2-dioxide?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-[1,2,5]thiadiazolo[3,4-c]quinoline 2,2-dioxide has a molecular weight of 451.51 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-[1,2,5]thiadiazolo[3,4-c]quinoline 2,2-dioxide is sourced from PubChem (CID 122705108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).