4-(2-pyridin-3-ylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide

C17H16N4O2S — CID 133287442

IUPAC4-(2-pyridin-3-ylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1
InChIInChI=1S/C17H16N4O2S/c22-24(23)10-8-21(9-11-24)17-14-5-1-2-6-15(14)19-16(20-17)13-4-3-7-18-12-13/h1-7,12H,8-11H2
InChIKeyVRVKKRUTPOWOHF-UHFFFAOYSA-N
MW340.41 g/mol
LogP1.93
Rot. Bonds2

About 4-(2-pyridin-3-ylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide

4-(2-pyridin-3-ylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 133287442) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 4-(2-pyridin-3-ylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(2-pyridin-3-ylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID133287442
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name4-(2-pyridin-3-ylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1
InChIInChI=1S/C17H16N4O2S/c22-24(23)10-8-21(9-11-24)17-14-5-1-2-6-15(14)19-16(20-17)13-4-3-7-18-12-13/h1-7,12H,8-11H2
InChIKeyVRVKKRUTPOWOHF-UHFFFAOYSA-N
XLogP1.93
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

phenyl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone
CID 2480686
(2R)-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propan-1-ol
CID 95762506
ethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-carboxylate
CID 4880874
4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-2-pyridin-3-ylquinazoline
CID 133322897
2-pyridin-3-yl-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]quinazoline
CID 9338628
4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridin-3-ylquinazoline
CID 133327764
3-methoxy-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidine-3-carboxylic acid
CID 167777227
2-pyridin-3-yl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]quinazoline
CID 2540547
4-(3-phenoxypyrrolidin-1-yl)-2-pyridin-3-ylquinazoline
CID 137470060
3-phenyl-5-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 133299396
(1-methylimidazol-2-yl)-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]methanol
CID 133395870
2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline
CID 659763

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-3-ylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(2-pyridin-3-ylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide (CID 133287442) is 4-(2-pyridin-3-ylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(2-pyridin-3-ylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(2-pyridin-3-ylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1.
What is the InChIKey of 4-(2-pyridin-3-ylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is VRVKKRUTPOWOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-24(23)10-8-21(9-11-24)17-14-5-1-2-6-15(14)19-16(20-17)13-4-3-7-18-12-13/h1-7,12H,8-11H2.
What are the key properties of 4-(2-pyridin-3-ylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide?
4-(2-pyridin-3-ylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 340.41 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-3-ylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 133287442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).