[1-(7-methoxyquinolin-4-yl)-2,3-dihydroindol-5-yl]methanesulfonamide

C19H19N3O3S — CID 161296977

IUPAC[1-(7-methoxyquinolin-4-yl)-2,3-dihydroindol-5-yl]methanesulfonamide
SMILESCOc1ccc2c(N3CCc4cc(CS(N)(=O)=O)ccc43)ccnc2c1
InChIInChI=1S/C19H19N3O3S/c1-25-15-3-4-16-17(11-15)21-8-6-19(16)22-9-7-14-10-13(2-5-18(14)22)12-26(20,23)24/h2-6,8,10-11H,7,9,12H2,1H3,(H2,20,23,24)
InChIKeyVHCHMHQTYLDWHV-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.73
Rot. Bonds4

About [1-(7-methoxyquinolin-4-yl)-2,3-dihydroindol-5-yl]methanesulfonamide

[1-(7-methoxyquinolin-4-yl)-2,3-dihydroindol-5-yl]methanesulfonamide (PubChem CID 161296977) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is [1-(7-methoxyquinolin-4-yl)-2,3-dihydroindol-5-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(7-methoxyquinolin-4-yl)-2,3-dihydroindol-5-yl]methanesulfonamide
PubChem CID161296977
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name[1-(7-methoxyquinolin-4-yl)-2,3-dihydroindol-5-yl]methanesulfonamide
SMILESCOc1ccc2c(N3CCc4cc(CS(N)(=O)=O)ccc43)ccnc2c1
InChIInChI=1S/C19H19N3O3S/c1-25-15-3-4-16-17(11-15)21-8-6-19(16)22-9-7-14-10-13(2-5-18(14)22)12-26(20,23)24/h2-6,8,10-11H,7,9,12H2,1H3,(H2,20,23,24)
InChIKeyVHCHMHQTYLDWHV-UHFFFAOYSA-N
XLogP2.73
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(7-methoxyquinolin-4-yl)-2,3-dihydroindol-5-yl]methanesulfonamide?
The IUPAC name of [1-(7-methoxyquinolin-4-yl)-2,3-dihydroindol-5-yl]methanesulfonamide (CID 161296977) is [1-(7-methoxyquinolin-4-yl)-2,3-dihydroindol-5-yl]methanesulfonamide.
What is the SMILES notation for [1-(7-methoxyquinolin-4-yl)-2,3-dihydroindol-5-yl]methanesulfonamide?
The canonical SMILES for [1-(7-methoxyquinolin-4-yl)-2,3-dihydroindol-5-yl]methanesulfonamide is COc1ccc2c(N3CCc4cc(CS(N)(=O)=O)ccc43)ccnc2c1.
What is the InChIKey of [1-(7-methoxyquinolin-4-yl)-2,3-dihydroindol-5-yl]methanesulfonamide?
The InChIKey is VHCHMHQTYLDWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-25-15-3-4-16-17(11-15)21-8-6-19(16)22-9-7-14-10-13(2-5-18(14)22)12-26(20,23)24/h2-6,8,10-11H,7,9,12H2,1H3,(H2,20,23,24).
What are the key properties of [1-(7-methoxyquinolin-4-yl)-2,3-dihydroindol-5-yl]methanesulfonamide?
[1-(7-methoxyquinolin-4-yl)-2,3-dihydroindol-5-yl]methanesulfonamide has a molecular weight of 369.45 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-methoxyquinolin-4-yl)-2,3-dihydroindol-5-yl]methanesulfonamide is sourced from PubChem (CID 161296977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).