1-(7-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 67284743

IUPAC1-(7-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)nc2cc(F)ccc2c1N1CCS(=O)(=O)c2ncc(N3CCOCC3)cc21
InChIInChI=1S/C26H24FN5O3S/c1-17-24(21-4-2-3-7-28-21)30-22-14-18(27)5-6-20(22)25(17)32-10-13-36(33,34)26-23(32)15-19(16-29-26)31-8-11-35-12-9-31/h2-7,14-16H,8-13H2,1H3
InChIKeyVOOODUVNTOWYMI-UHFFFAOYSA-N
MW505.58 g/mol
LogP3.90
Rot. Bonds3

About 1-(7-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-(7-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 67284743) has the molecular formula C26H24FN5O3S and a molecular weight of 505.58 g/mol. Its IUPAC name is 1-(7-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-(7-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 CID67284743
Molecular FormulaC26H24FN5O3S
Molecular Weight505.58 g/mol
Exact Mass505.16
IUPAC Name1-(7-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)nc2cc(F)ccc2c1N1CCS(=O)(=O)c2ncc(N3CCOCC3)cc21
InChIInChI=1S/C26H24FN5O3S/c1-17-24(21-4-2-3-7-28-21)30-22-14-18(27)5-6-20(22)25(17)32-10-13-36(33,34)26-23(32)15-19(16-29-26)31-8-11-35-12-9-31/h2-7,14-16H,8-13H2,1H3
InChIKeyVOOODUVNTOWYMI-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-(7-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-(7-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 67284743) is 1-(7-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-(7-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-(7-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)nc2cc(F)ccc2c1N1CCS(=O)(=O)c2ncc(N3CCOCC3)cc21.
What is the InChIKey of 1-(7-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 VOOODUVNTOWYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O3S/c1-17-24(21-4-2-3-7-28-21)30-22-14-18(27)5-6-20(22)25(17)32-10-13-36(33,34)26-23(32)15-19(16-29-26)31-8-11-35-12-9-31/h2-7,14-16H,8-13H2,1H3.
What are the key properties of 1-(7-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-(7-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-(7-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 67284743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).