N-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide

C22H23N3O6S — CID 2463208

IUPACN-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C22H23N3O6S/c1-2-31-20-6-4-3-5-19(20)24-22(27)17-14-21(26)23-18-8-7-15(13-16(17)18)32(28,29)25-9-11-30-12-10-25/h3-8,13-14H,2,9-12H2,1H3,(H,23,26)(H,24,27)
InChIKeyLICDNAMFPNDJPP-UHFFFAOYSA-N
MW457.51 g/mol
LogP2.20
Rot. Bonds6

About N-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide

N-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 2463208) has the molecular formula C22H23N3O6S and a molecular weight of 457.51 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
PubChem CID2463208
Molecular FormulaC22H23N3O6S
Molecular Weight457.51 g/mol
Exact Mass457.13
IUPAC NameN-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C22H23N3O6S/c1-2-31-20-6-4-3-5-19(20)24-22(27)17-14-21(26)23-18-8-7-15(13-16(17)18)32(28,29)25-9-11-30-12-10-25/h3-8,13-14H,2,9-12H2,1H3,(H,23,26)(H,24,27)
InChIKeyLICDNAMFPNDJPP-UHFFFAOYSA-N
XLogP2.20
TPSA117.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide (CID 2463208) is N-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide is CCOc1ccccc1NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12.
What is the InChIKey of N-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is LICDNAMFPNDJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O6S/c1-2-31-20-6-4-3-5-19(20)24-22(27)17-14-21(26)23-18-8-7-15(13-16(17)18)32(28,29)25-9-11-30-12-10-25/h3-8,13-14H,2,9-12H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide?
N-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 2463208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).