3-[(4-chloro-3-ethyl-2-methylquinolin-6-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione

C18H18ClN3O3 — CID 168557920

IUPAC3-[(4-chloro-3-ethyl-2-methylquinolin-6-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
SMILESCCc1c(C)nc2ccc(NC3=CC(=O)N(CCO)C3=O)cc2c1Cl
InChIInChI=1S/C18H18ClN3O3/c1-3-12-10(2)20-14-5-4-11(8-13(14)17(12)19)21-15-9-16(24)22(6-7-23)18(15)25/h4-5,8-9,21,23H,3,6-7H2,1-2H3
InChIKeyFARBACCXCHMJMB-UHFFFAOYSA-N
MW359.81 g/mol
LogP2.42
Rot. Bonds5

About 3-[(4-chloro-3-ethyl-2-methylquinolin-6-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione

3-[(4-chloro-3-ethyl-2-methylquinolin-6-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione (PubChem CID 168557920) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is 3-[(4-chloro-3-ethyl-2-methylquinolin-6-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[(4-chloro-3-ethyl-2-methylquinolin-6-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
PubChem CID168557920
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Name3-[(4-chloro-3-ethyl-2-methylquinolin-6-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
SMILESCCc1c(C)nc2ccc(NC3=CC(=O)N(CCO)C3=O)cc2c1Cl
InChIInChI=1S/C18H18ClN3O3/c1-3-12-10(2)20-14-5-4-11(8-13(14)17(12)19)21-15-9-16(24)22(6-7-23)18(15)25/h4-5,8-9,21,23H,3,6-7H2,1-2H3
InChIKeyFARBACCXCHMJMB-UHFFFAOYSA-N
XLogP2.42
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3-ethyl-2-methylquinolin-6-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The IUPAC name of 3-[(4-chloro-3-ethyl-2-methylquinolin-6-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione (CID 168557920) is 3-[(4-chloro-3-ethyl-2-methylquinolin-6-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[(4-chloro-3-ethyl-2-methylquinolin-6-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-[(4-chloro-3-ethyl-2-methylquinolin-6-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione is CCc1c(C)nc2ccc(NC3=CC(=O)N(CCO)C3=O)cc2c1Cl.
What is the InChIKey of 3-[(4-chloro-3-ethyl-2-methylquinolin-6-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The InChIKey is FARBACCXCHMJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-3-12-10(2)20-14-5-4-11(8-13(14)17(12)19)21-15-9-16(24)22(6-7-23)18(15)25/h4-5,8-9,21,23H,3,6-7H2,1-2H3.
What are the key properties of 3-[(4-chloro-3-ethyl-2-methylquinolin-6-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
3-[(4-chloro-3-ethyl-2-methylquinolin-6-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione has a molecular weight of 359.81 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-3-ethyl-2-methylquinolin-6-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione is sourced from PubChem (CID 168557920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).