6-bromo-7-(4-methoxypiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one

C15H19BrN2O4S — CID 86962368

IUPAC6-bromo-7-(4-methoxypiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESCOC1CCN(S(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)CC1
InChIInChI=1S/C15H19BrN2O4S/c1-22-11-4-6-18(7-5-11)23(20,21)14-9-13-10(8-12(14)16)2-3-15(19)17-13/h8-9,11H,2-7H2,1H3,(H,17,19)
InChIKeyBISVZYOCMOJBPN-UHFFFAOYSA-N
MW403.30 g/mol
LogP2.13
Rot. Bonds3

About 6-bromo-7-(4-methoxypiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one

6-bromo-7-(4-methoxypiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 86962368) has the molecular formula C15H19BrN2O4S and a molecular weight of 403.30 g/mol. Its IUPAC name is 6-bromo-7-(4-methoxypiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-7-(4-methoxypiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID86962368
Molecular FormulaC15H19BrN2O4S
Molecular Weight403.30 g/mol
Exact Mass402.02
IUPAC Name6-bromo-7-(4-methoxypiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESCOC1CCN(S(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)CC1
InChIInChI=1S/C15H19BrN2O4S/c1-22-11-4-6-18(7-5-11)23(20,21)14-9-13-10(8-12(14)16)2-3-15(19)17-13/h8-9,11H,2-7H2,1H3,(H,17,19)
InChIKeyBISVZYOCMOJBPN-UHFFFAOYSA-N
XLogP2.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-(4-methoxypiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-bromo-7-(4-methoxypiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one (CID 86962368) is 6-bromo-7-(4-methoxypiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-bromo-7-(4-methoxypiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-bromo-7-(4-methoxypiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one is COC1CCN(S(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)CC1.
What is the InChIKey of 6-bromo-7-(4-methoxypiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is BISVZYOCMOJBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O4S/c1-22-11-4-6-18(7-5-11)23(20,21)14-9-13-10(8-12(14)16)2-3-15(19)17-13/h8-9,11H,2-7H2,1H3,(H,17,19).
What are the key properties of 6-bromo-7-(4-methoxypiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one?
6-bromo-7-(4-methoxypiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 403.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-(4-methoxypiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 86962368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).