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

C22H28N4O3S — CID 71536488

IUPACN-[2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCN1CCCc2c(-c3ccc4c(c3)CCC(=O)N4C)cncc21
InChIInChI=1S/C22H28N4O3S/c1-3-30(28,29)24-10-12-26-11-4-5-18-19(14-23-15-21(18)26)16-6-8-20-17(13-16)7-9-22(27)25(20)2/h6,8,13-15,24H,3-5,7,9-12H2,1-2H3
InChIKeyNIXGHBHIMPTIEW-UHFFFAOYSA-N
MW428.56 g/mol
LogP2.35
Rot. Bonds6

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

N-[2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethyl]ethanesulfonamide (PubChem CID 71536488) has the molecular formula C22H28N4O3S and a molecular weight of 428.56 g/mol. Its IUPAC name is N-[2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethyl]ethanesulfonamide
PubChem CID71536488
Molecular FormulaC22H28N4O3S
Molecular Weight428.56 g/mol
Exact Mass428.19
IUPAC NameN-[2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCN1CCCc2c(-c3ccc4c(c3)CCC(=O)N4C)cncc21
InChIInChI=1S/C22H28N4O3S/c1-3-30(28,29)24-10-12-26-11-4-5-18-19(14-23-15-21(18)26)16-6-8-20-17(13-16)7-9-22(27)25(20)2/h6,8,13-15,24H,3-5,7,9-12H2,1-2H3
InChIKeyNIXGHBHIMPTIEW-UHFFFAOYSA-N
XLogP2.35
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethyl]ethanesulfonamide (CID 71536488) is N-[2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethyl]ethanesulfonamide is CCS(=O)(=O)NCCN1CCCc2c(-c3ccc4c(c3)CCC(=O)N4C)cncc21.
What is the InChIKey of N-[2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethyl]ethanesulfonamide?
The InChIKey is NIXGHBHIMPTIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3S/c1-3-30(28,29)24-10-12-26-11-4-5-18-19(14-23-15-21(18)26)16-6-8-20-17(13-16)7-9-22(27)25(20)2/h6,8,13-15,24H,3-5,7,9-12H2,1-2H3.
What are the key properties of N-[2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethyl]ethanesulfonamide?
N-[2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethyl]ethanesulfonamide has a molecular weight of 428.56 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethyl]ethanesulfonamide is sourced from PubChem (CID 71536488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).