N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)morpholine-4-carboxamide

C20H26ClN3O3 — CID 3216896

IUPACN-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)morpholine-4-carboxamide
SMILESCOCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=O)N1CCOCC1
InChIInChI=1S/C20H26ClN3O3/c1-14-4-5-16-12-17(19(21)22-18(16)15(14)2)13-24(6-9-26-3)20(25)23-7-10-27-11-8-23/h4-5,12H,6-11,13H2,1-3H3
InChIKeyZBIPMAQXAUBTJJ-UHFFFAOYSA-N
MW391.90 g/mol
LogP3.41
Rot. Bonds5

About N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)morpholine-4-carboxamide

N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)morpholine-4-carboxamide (PubChem CID 3216896) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)morpholine-4-carboxamide
PubChem CID3216896
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC NameN-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)morpholine-4-carboxamide
SMILESCOCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=O)N1CCOCC1
InChIInChI=1S/C20H26ClN3O3/c1-14-4-5-16-12-17(19(21)22-18(16)15(14)2)13-24(6-9-26-3)20(25)23-7-10-27-11-8-23/h4-5,12H,6-11,13H2,1-3H3
InChIKeyZBIPMAQXAUBTJJ-UHFFFAOYSA-N
XLogP3.41
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)morpholine-4-carboxamide?
The IUPAC name of N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)morpholine-4-carboxamide (CID 3216896) is N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)morpholine-4-carboxamide?
The canonical SMILES for N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)morpholine-4-carboxamide is COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=O)N1CCOCC1.
What is the InChIKey of N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)morpholine-4-carboxamide?
The InChIKey is ZBIPMAQXAUBTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3/c1-14-4-5-16-12-17(19(21)22-18(16)15(14)2)13-24(6-9-26-3)20(25)23-7-10-27-11-8-23/h4-5,12H,6-11,13H2,1-3H3.
What are the key properties of N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)morpholine-4-carboxamide?
N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)morpholine-4-carboxamide has a molecular weight of 391.90 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)morpholine-4-carboxamide is sourced from PubChem (CID 3216896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).