3-[(8-ethoxyquinolin-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione

C17H17N3O4 — CID 168558560

IUPAC3-[(8-ethoxyquinolin-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
SMILESCCOc1ccc(NC2=CC(=O)N(CCO)C2=O)c2cccnc12
InChIInChI=1S/C17H17N3O4/c1-2-24-14-6-5-12(11-4-3-7-18-16(11)14)19-13-10-15(22)20(8-9-21)17(13)23/h3-7,10,19,21H,2,8-9H2,1H3
InChIKeyMKRSFNHIECZJRO-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.29
Rot. Bonds6

About 3-[(8-ethoxyquinolin-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione

3-[(8-ethoxyquinolin-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione (PubChem CID 168558560) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 3-[(8-ethoxyquinolin-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[(8-ethoxyquinolin-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
PubChem CID168558560
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name3-[(8-ethoxyquinolin-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
SMILESCCOc1ccc(NC2=CC(=O)N(CCO)C2=O)c2cccnc12
InChIInChI=1S/C17H17N3O4/c1-2-24-14-6-5-12(11-4-3-7-18-16(11)14)19-13-10-15(22)20(8-9-21)17(13)23/h3-7,10,19,21H,2,8-9H2,1H3
InChIKeyMKRSFNHIECZJRO-UHFFFAOYSA-N
XLogP1.29
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxyethyl)-3-[(7-methylquinolin-8-yl)amino]pyrrole-2,5-dione
CID 168559140
3-[5-fluoro-2-(2-methoxyethoxy)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559194
1-(2-hydroxyethyl)-3-[(2-methylbenzotriazol-4-yl)amino]pyrrole-2,5-dione
CID 168556105
3-[(3-bromo-2H-indazol-7-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168557496
1-(2-hydroxyethyl)-3-[2-(2-pyridin-2-ylethyl)anilino]pyrrole-2,5-dione
CID 168556445
3-(5-chloro-2-phenoxyanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168556958
1-(2-hydroxyethyl)-3-[4-(2-methoxyphenyl)anilino]pyrrole-2,5-dione
CID 168560657
3-[(2-ethyl-3-methyl-1-benzofuran-7-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559320
8-ethoxyquinoline-5-carbohydrazide
CID 84613958
1-(2-hydroxyethyl)-3-(methylamino)pyrrole-2,5-dione
CID 4512557
5-(4-ethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)-1,2-oxazole-3-carboxamide
CID 39866230
3-(2-ethoxyanilino)-1-methylpyrrole-2,5-dione
CID 16647743

Frequently Asked Questions

What is the IUPAC name of 3-[(8-ethoxyquinolin-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The IUPAC name of 3-[(8-ethoxyquinolin-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione (CID 168558560) is 3-[(8-ethoxyquinolin-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[(8-ethoxyquinolin-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-[(8-ethoxyquinolin-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione is CCOc1ccc(NC2=CC(=O)N(CCO)C2=O)c2cccnc12.
What is the InChIKey of 3-[(8-ethoxyquinolin-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The InChIKey is MKRSFNHIECZJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-2-24-14-6-5-12(11-4-3-7-18-16(11)14)19-13-10-15(22)20(8-9-21)17(13)23/h3-7,10,19,21H,2,8-9H2,1H3.
What are the key properties of 3-[(8-ethoxyquinolin-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
3-[(8-ethoxyquinolin-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione has a molecular weight of 327.34 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-ethoxyquinolin-5-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione is sourced from PubChem (CID 168558560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).