1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-6,8-dimethyl-3,4-dihydro-2H-quinoline

C17H23N3O3S — CID 136534415

IUPAC1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-6,8-dimethyl-3,4-dihydro-2H-quinoline
SMILESCOCCn1cc(S(=O)(=O)N2CCCc3cc(C)cc(C)c32)cn1
InChIInChI=1S/C17H23N3O3S/c1-13-9-14(2)17-15(10-13)5-4-6-20(17)24(21,22)16-11-18-19(12-16)7-8-23-3/h9-12H,4-8H2,1-3H3
InChIKeyBIIPQEWDCONTNM-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.29
Rot. Bonds5

About 1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-6,8-dimethyl-3,4-dihydro-2H-quinoline

1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-6,8-dimethyl-3,4-dihydro-2H-quinoline (PubChem CID 136534415) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-6,8-dimethyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-6,8-dimethyl-3,4-dihydro-2H-quinoline
PubChem CID136534415
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-6,8-dimethyl-3,4-dihydro-2H-quinoline
SMILESCOCCn1cc(S(=O)(=O)N2CCCc3cc(C)cc(C)c32)cn1
InChIInChI=1S/C17H23N3O3S/c1-13-9-14(2)17-15(10-13)5-4-6-20(17)24(21,22)16-11-18-19(12-16)7-8-23-3/h9-12H,4-8H2,1-3H3
InChIKeyBIIPQEWDCONTNM-UHFFFAOYSA-N
XLogP2.29
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-6,8-dimethyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-6,8-dimethyl-3,4-dihydro-2H-quinoline (CID 136534415) is 1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-6,8-dimethyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-6,8-dimethyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-6,8-dimethyl-3,4-dihydro-2H-quinoline is COCCn1cc(S(=O)(=O)N2CCCc3cc(C)cc(C)c32)cn1.
What is the InChIKey of 1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-6,8-dimethyl-3,4-dihydro-2H-quinoline?
The InChIKey is BIIPQEWDCONTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-13-9-14(2)17-15(10-13)5-4-6-20(17)24(21,22)16-11-18-19(12-16)7-8-23-3/h9-12H,4-8H2,1-3H3.
What are the key properties of 1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-6,8-dimethyl-3,4-dihydro-2H-quinoline?
1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-6,8-dimethyl-3,4-dihydro-2H-quinoline has a molecular weight of 349.46 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-6,8-dimethyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 136534415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).