1-(4-methoxyphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline

C21H20N2O3S — CID 118714839

IUPAC1-(4-methoxyphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline
SMILESCOc1ccc(S(=O)(=O)N2CCCc3cc(-c4cccnc4)ccc32)cc1
InChIInChI=1S/C21H20N2O3S/c1-26-19-7-9-20(10-8-19)27(24,25)23-13-3-5-17-14-16(6-11-21(17)23)18-4-2-12-22-15-18/h2,4,6-12,14-15H,3,5,13H2,1H3
InChIKeyKBAGQAAYCKILIP-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.90
Rot. Bonds4

About 1-(4-methoxyphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline

1-(4-methoxyphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline (PubChem CID 118714839) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline
PubChem CID118714839
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name1-(4-methoxyphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline
SMILESCOc1ccc(S(=O)(=O)N2CCCc3cc(-c4cccnc4)ccc32)cc1
InChIInChI=1S/C21H20N2O3S/c1-26-19-7-9-20(10-8-19)27(24,25)23-13-3-5-17-14-16(6-11-21(17)23)18-4-2-12-22-15-18/h2,4,6-12,14-15H,3,5,13H2,1H3
InChIKeyKBAGQAAYCKILIP-UHFFFAOYSA-N
XLogP3.90
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline (CID 118714839) is 1-(4-methoxyphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline is COc1ccc(S(=O)(=O)N2CCCc3cc(-c4cccnc4)ccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline?
The InChIKey is KBAGQAAYCKILIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-26-19-7-9-20(10-8-19)27(24,25)23-13-3-5-17-14-16(6-11-21(17)23)18-4-2-12-22-15-18/h2,4,6-12,14-15H,3,5,13H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline?
1-(4-methoxyphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline has a molecular weight of 380.47 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 118714839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).