N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide

C24H25N3O7S — CID 3238889

IUPACN-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C24H25N3O7S/c1-2-26-14-19(24(29)25-13-16-3-6-21-22(11-16)34-15-33-21)23(28)18-12-17(4-5-20(18)26)35(30,31)27-7-9-32-10-8-27/h3-6,11-12,14H,2,7-10,13,15H2,1H3,(H,25,29)
InChIKeyCKLNJEVAHISUMB-UHFFFAOYSA-N
MW499.55 g/mol
LogP1.70
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide (PubChem CID 3238889) has the molecular formula C24H25N3O7S and a molecular weight of 499.55 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide
PubChem CID3238889
Molecular FormulaC24H25N3O7S
Molecular Weight499.55 g/mol
Exact Mass499.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C24H25N3O7S/c1-2-26-14-19(24(29)25-13-16-3-6-21-22(11-16)34-15-33-21)23(28)18-12-17(4-5-20(18)26)35(30,31)27-7-9-32-10-8-27/h3-6,11-12,14H,2,7-10,13,15H2,1H3,(H,25,29)
InChIKeyCKLNJEVAHISUMB-UHFFFAOYSA-N
XLogP1.70
TPSA116.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.55
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 57340900
CID 57340900
CID 4835037
CID 4835037
CID 1304330
CID 1304330
CID 2207130
CID 2207130
CID 2354592
CID 2354592
CID 2597169
CID 2597169
CID 2597179
CID 2597179
CID 2928869
CID 2928869
CID 3237020
CID 3237020
CID 3239651
CID 3239651
CID 3243407
CID 3243407
CID 3244741
CID 3244741

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide (CID 3238889) is N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide?
The InChIKey is CKLNJEVAHISUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O7S/c1-2-26-14-19(24(29)25-13-16-3-6-21-22(11-16)34-15-33-21)23(28)18-12-17(4-5-20(18)26)35(30,31)27-7-9-32-10-8-27/h3-6,11-12,14H,2,7-10,13,15H2,1H3,(H,25,29).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide has a molecular weight of 499.55 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 3238889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).