1-(5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-7-morpholin-4-yl-2,3-dihydropyrido[2,3-b][1,4]thiazine 4,4-dioxide

C26H24FN5O3S — CID 50939342

IUPAC1-(5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-7-morpholin-4-yl-2,3-dihydropyrido[2,3-b][1,4]thiazine 4,4-dioxide
SMILESCc1c(-c2ccccn2)nc2cccc(F)c2c1N1CCS(=O)(=O)c2ncc(N3CCOCC3)cc21
InChIInChI=1S/C26H24FN5O3S/c1-17-24(21-6-2-3-8-28-21)30-20-7-4-5-19(27)23(20)25(17)32-11-14-36(33,34)26-22(32)15-18(16-29-26)31-9-12-35-13-10-31/h2-8,15-16H,9-14H2,1H3
InChIKeyZXGDOKABBOXISR-UHFFFAOYSA-N
MW505.58 g/mol
LogP3.90
Rot. Bonds3

About 1-(5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-7-morpholin-4-yl-2,3-dihydropyrido[2,3-b][1,4]thiazine 4,4-dioxide

1-(5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-7-morpholin-4-yl-2,3-dihydropyrido[2,3-b][1,4]thiazine 4,4-dioxide (PubChem CID 50939342) has the molecular formula C26H24FN5O3S and a molecular weight of 505.58 g/mol. Its IUPAC name is 1-(5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-7-morpholin-4-yl-2,3-dihydropyrido[2,3-b][1,4]thiazine 4,4-dioxide.

Molecular Properties

Compound Name1-(5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-7-morpholin-4-yl-2,3-dihydropyrido[2,3-b][1,4]thiazine 4,4-dioxide
PubChem CID50939342
Molecular FormulaC26H24FN5O3S
Molecular Weight505.58 g/mol
Exact Mass505.16
IUPAC Name1-(5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-7-morpholin-4-yl-2,3-dihydropyrido[2,3-b][1,4]thiazine 4,4-dioxide
SMILESCc1c(-c2ccccn2)nc2cccc(F)c2c1N1CCS(=O)(=O)c2ncc(N3CCOCC3)cc21
InChIInChI=1S/C26H24FN5O3S/c1-17-24(21-6-2-3-8-28-21)30-20-7-4-5-19(27)23(20)25(17)32-11-14-36(33,34)26-22(32)15-18(16-29-26)31-9-12-35-13-10-31/h2-8,15-16H,9-14H2,1H3
InChIKeyZXGDOKABBOXISR-UHFFFAOYSA-N
XLogP3.90
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.58
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-7-morpholin-4-yl-2,3-dihydropyrido[2,3-b][1,4]thiazine 4,4-dioxide?
The IUPAC name of 1-(5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-7-morpholin-4-yl-2,3-dihydropyrido[2,3-b][1,4]thiazine 4,4-dioxide (CID 50939342) is 1-(5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-7-morpholin-4-yl-2,3-dihydropyrido[2,3-b][1,4]thiazine 4,4-dioxide.
What is the SMILES notation for 1-(5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-7-morpholin-4-yl-2,3-dihydropyrido[2,3-b][1,4]thiazine 4,4-dioxide?
The canonical SMILES for 1-(5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-7-morpholin-4-yl-2,3-dihydropyrido[2,3-b][1,4]thiazine 4,4-dioxide is Cc1c(-c2ccccn2)nc2cccc(F)c2c1N1CCS(=O)(=O)c2ncc(N3CCOCC3)cc21.
What is the InChIKey of 1-(5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-7-morpholin-4-yl-2,3-dihydropyrido[2,3-b][1,4]thiazine 4,4-dioxide?
The InChIKey is ZXGDOKABBOXISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O3S/c1-17-24(21-6-2-3-8-28-21)30-20-7-4-5-19(27)23(20)25(17)32-11-14-36(33,34)26-22(32)15-18(16-29-26)31-9-12-35-13-10-31/h2-8,15-16H,9-14H2,1H3.
What are the key properties of 1-(5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-7-morpholin-4-yl-2,3-dihydropyrido[2,3-b][1,4]thiazine 4,4-dioxide?
1-(5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-7-morpholin-4-yl-2,3-dihydropyrido[2,3-b][1,4]thiazine 4,4-dioxide has a molecular weight of 505.58 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-7-morpholin-4-yl-2,3-dihydropyrido[2,3-b][1,4]thiazine 4,4-dioxide is sourced from PubChem (CID 50939342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).