1-[7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-7-morpholin-4-yl-2,3-dihydropyrido[2,3-b][1,4]thiazine 4,4-dioxide

C27H26FN5O3S — CID 67284809

IUPAC1-[7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-7-morpholin-4-yl-2,3-dihydropyrido[2,3-b][1,4]thiazine 4,4-dioxide
SMILESCc1ccnc(-c2nc3cc(F)ccc3c(N3CCS(=O)(=O)c4ncc(N5CCOCC5)cc43)c2C)c1
InChIInChI=1S/C27H26FN5O3S/c1-17-5-6-29-23(13-17)25-18(2)26(21-4-3-19(28)14-22(21)31-25)33-9-12-37(34,35)27-24(33)15-20(16-30-27)32-7-10-36-11-8-32/h3-6,13-16H,7-12H2,1-2H3
InChIKeyLQKZMJRXTKIWIL-UHFFFAOYSA-N
MW519.60 g/mol
LogP4.21
Rot. Bonds3

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

1-[7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-7-morpholin-4-yl-2,3-dihydropyrido[2,3-b][1,4]thiazine 4,4-dioxide (PubChem CID 67284809) has the molecular formula C27H26FN5O3S and a molecular weight of 519.60 g/mol. Its IUPAC name is 1-[7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-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-(4-methyl-2-pyridinyl)quinolin-4-yl]-7-morpholin-4-yl-2,3-dihydropyrido[2,3-b][1,4]thiazine 4,4-dioxide
PubChem CID67284809
Molecular FormulaC27H26FN5O3S
Molecular Weight519.60 g/mol
Exact Mass519.17
IUPAC Name1-[7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-7-morpholin-4-yl-2,3-dihydropyrido[2,3-b][1,4]thiazine 4,4-dioxide
SMILESCc1ccnc(-c2nc3cc(F)ccc3c(N3CCS(=O)(=O)c4ncc(N5CCOCC5)cc43)c2C)c1
InChIInChI=1S/C27H26FN5O3S/c1-17-5-6-29-23(13-17)25-18(2)26(21-4-3-19(28)14-22(21)31-25)33-9-12-37(34,35)27-24(33)15-20(16-30-27)32-7-10-36-11-8-32/h3-6,13-16H,7-12H2,1-2H3
InChIKeyLQKZMJRXTKIWIL-UHFFFAOYSA-N
XLogP4.21
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.60
LogP ≤ 54.21
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-(4-methyl-2-pyridinyl)quinolin-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-(4-methyl-2-pyridinyl)quinolin-4-yl]-7-morpholin-4-yl-2,3-dihydropyrido[2,3-b][1,4]thiazine 4,4-dioxide (CID 67284809) is 1-[7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-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-(4-methyl-2-pyridinyl)quinolin-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-(4-methyl-2-pyridinyl)quinolin-4-yl]-7-morpholin-4-yl-2,3-dihydropyrido[2,3-b][1,4]thiazine 4,4-dioxide is Cc1ccnc(-c2nc3cc(F)ccc3c(N3CCS(=O)(=O)c4ncc(N5CCOCC5)cc43)c2C)c1.
What is the InChIKey of 1-[7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-7-morpholin-4-yl-2,3-dihydropyrido[2,3-b][1,4]thiazine 4,4-dioxide?
The InChIKey is LQKZMJRXTKIWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O3S/c1-17-5-6-29-23(13-17)25-18(2)26(21-4-3-19(28)14-22(21)31-25)33-9-12-37(34,35)27-24(33)15-20(16-30-27)32-7-10-36-11-8-32/h3-6,13-16H,7-12H2,1-2H3.
What are the key properties of 1-[7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-7-morpholin-4-yl-2,3-dihydropyrido[2,3-b][1,4]thiazine 4,4-dioxide?
1-[7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-7-morpholin-4-yl-2,3-dihydropyrido[2,3-b][1,4]thiazine 4,4-dioxide has a molecular weight of 519.60 g/mol, XLogP of 4.21, 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-(4-methyl-2-pyridinyl)quinolin-4-yl]-7-morpholin-4-yl-2,3-dihydropyrido[2,3-b][1,4]thiazine 4,4-dioxide is sourced from PubChem (CID 67284809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).