2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-1-morpholin-4-ylethanone

C19H24ClN3O2 — CID 8711791

IUPAC2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-1-morpholin-4-ylethanone
SMILESCc1ccc2cc(CN(C)CC(=O)N3CCOCC3)c(Cl)nc2c1C
InChIInChI=1S/C19H24ClN3O2/c1-13-4-5-15-10-16(19(20)21-18(15)14(13)2)11-22(3)12-17(24)23-6-8-25-9-7-23/h4-5,10H,6-9,11-12H2,1-3H3
InChIKeyMSWFVXKSKXWLPS-UHFFFAOYSA-N
MW361.87 g/mol
LogP2.80
Rot. Bonds4

About 2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-1-morpholin-4-ylethanone

2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-1-morpholin-4-ylethanone (PubChem CID 8711791) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-1-morpholin-4-ylethanone
PubChem CID8711791
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-1-morpholin-4-ylethanone
SMILESCc1ccc2cc(CN(C)CC(=O)N3CCOCC3)c(Cl)nc2c1C
InChIInChI=1S/C19H24ClN3O2/c1-13-4-5-15-10-16(19(20)21-18(15)14(13)2)11-22(3)12-17(24)23-6-8-25-9-7-23/h4-5,10H,6-9,11-12H2,1-3H3
InChIKeyMSWFVXKSKXWLPS-UHFFFAOYSA-N
XLogP2.80
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-1-morpholin-4-ylethanone 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 2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-1-morpholin-4-ylethanone (CID 8711791) is 2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-1-morpholin-4-ylethanone is Cc1ccc2cc(CN(C)CC(=O)N3CCOCC3)c(Cl)nc2c1C.
What is the InChIKey of 2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-1-morpholin-4-ylethanone?
The InChIKey is MSWFVXKSKXWLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-13-4-5-15-10-16(19(20)21-18(15)14(13)2)11-22(3)12-17(24)23-6-8-25-9-7-23/h4-5,10H,6-9,11-12H2,1-3H3.
What are the key properties of 2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-1-morpholin-4-ylethanone?
2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-1-morpholin-4-ylethanone has a molecular weight of 361.87 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 8711791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).