[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

C22H23N3O3S — CID 43035784

IUPAC[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)c1cccnc1SCc1c(C)noc1C
InChIInChI=1S/C22H23N3O3S/c1-14-19(15(2)28-24-14)13-29-21-18(7-4-10-23-21)22(26)25-11-5-6-16-12-17(27-3)8-9-20(16)25/h4,7-10,12H,5-6,11,13H2,1-3H3
InChIKeyYJYFMVAXFXBDON-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.58
Rot. Bonds5

About [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 43035784) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID43035784
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)c1cccnc1SCc1c(C)noc1C
InChIInChI=1S/C22H23N3O3S/c1-14-19(15(2)28-24-14)13-29-21-18(7-4-10-23-21)22(26)25-11-5-6-16-12-17(27-3)8-9-20(16)25/h4,7-10,12H,5-6,11,13H2,1-3H3
InChIKeyYJYFMVAXFXBDON-UHFFFAOYSA-N
XLogP4.58
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 46543036
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38603197
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 55374163
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpyridine-3-carboxamide
CID 30888032
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 51191560
(5-methyl-1,2-oxazol-3-yl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate
CID 8815152
2-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55519323
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 31929046
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55872913
[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate
CID 26968537
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(2,2-dimethylpropanoylamino)phenyl]pyridine-3-carboxamide
CID 24644198
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate
CID 9306877

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 43035784) is [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is COc1ccc2c(c1)CCCN2C(=O)c1cccnc1SCc1c(C)noc1C.
What is the InChIKey of [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is YJYFMVAXFXBDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-14-19(15(2)28-24-14)13-29-21-18(7-4-10-23-21)22(26)25-11-5-6-16-12-17(27-3)8-9-20(16)25/h4,7-10,12H,5-6,11,13H2,1-3H3.
What are the key properties of [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 409.51 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 43035784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).