N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]ethanesulfonamide

C20H23N3O3S — CID 71536228

IUPACN-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCc2c(-c3ccc4c(c3)CCC(=O)N4C)cncc21
InChIInChI=1S/C20H23N3O3S/c1-3-27(25,26)22-18-7-6-15-16(11-21-12-17(15)18)13-4-8-19-14(10-13)5-9-20(24)23(19)2/h4,8,10-12,18,22H,3,5-7,9H2,1-2H3
InChIKeyICJMGJBNROMRTB-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.58
Rot. Bonds4

About N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]ethanesulfonamide

N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]ethanesulfonamide (PubChem CID 71536228) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]ethanesulfonamide
PubChem CID71536228
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCc2c(-c3ccc4c(c3)CCC(=O)N4C)cncc21
InChIInChI=1S/C20H23N3O3S/c1-3-27(25,26)22-18-7-6-15-16(11-21-12-17(15)18)13-4-8-19-14(10-13)5-9-20(24)23(19)2/h4,8,10-12,18,22H,3,5-7,9H2,1-2H3
InChIKeyICJMGJBNROMRTB-UHFFFAOYSA-N
XLogP2.58
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]ethanesulfonamide?
The IUPAC name of N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]ethanesulfonamide (CID 71536228) is N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]ethanesulfonamide.
What is the SMILES notation for N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]ethanesulfonamide?
The canonical SMILES for N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCc2c(-c3ccc4c(c3)CCC(=O)N4C)cncc21.
What is the InChIKey of N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]ethanesulfonamide?
The InChIKey is ICJMGJBNROMRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-3-27(25,26)22-18-7-6-15-16(11-21-12-17(15)18)13-4-8-19-14(10-13)5-9-20(24)23(19)2/h4,8,10-12,18,22H,3,5-7,9H2,1-2H3.
What are the key properties of N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]ethanesulfonamide?
N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]ethanesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]ethanesulfonamide is sourced from PubChem (CID 71536228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).