N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2-ethylbutanamide

C20H29N3O2 — CID 3213315

IUPACN-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2-ethylbutanamide
SMILESCCOc1ccc2nc(NCCNC(=O)C(CC)CC)c(C)cc2c1
InChIInChI=1S/C20H29N3O2/c1-5-15(6-2)20(24)22-11-10-21-19-14(4)12-16-13-17(25-7-3)8-9-18(16)23-19/h8-9,12-13,15H,5-7,10-11H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyJBIREGVYKQOMAK-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.91
Rot. Bonds9

About N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2-ethylbutanamide

N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2-ethylbutanamide (PubChem CID 3213315) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2-ethylbutanamide
PubChem CID3213315
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2-ethylbutanamide
SMILESCCOc1ccc2nc(NCCNC(=O)C(CC)CC)c(C)cc2c1
InChIInChI=1S/C20H29N3O2/c1-5-15(6-2)20(24)22-11-10-21-19-14(4)12-16-13-17(25-7-3)8-9-18(16)23-19/h8-9,12-13,15H,5-7,10-11H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyJBIREGVYKQOMAK-UHFFFAOYSA-N
XLogP3.91
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2-ethylbutanamide 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

N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
CID 652221
N-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]-2-methylpropanamide
CID 7221290
6-ethoxy-3-propan-2-yl-N-propylquinolin-2-amine
CID 63529698
N-[2-[(3-cyano-6-ethoxyquinolin-2-yl)amino]ethyl]-3,3-dimethylbutanamide
CID 44754257
N-[2-(3,4-dimethylphenoxy)ethyl]-2-ethylbutanamide
CID 113101021
1-[2-[(3-cyano-6-ethoxyquinolin-2-yl)amino]ethyl]-3-(2-methoxyethyl)thiourea
CID 3221564
6-ethoxy-2-methylquinoline-3-carboxylic acid
CID 17039997
1-[2-[(3-cyano-6-ethoxyquinolin-2-yl)amino]ethyl]-3-(4-fluorophenyl)urea
CID 43813688
N-[2-[(6-ethoxy-3-methylquinolin-1-ium-2-yl)amino]ethyl]butanamide
CID 7402595
1-[2-[(3-cyano-6-ethoxyquinolin-2-yl)amino]ethyl]-3-(3-methoxypropyl)thiourea
CID 3221578
1-[2-[(3-cyano-6-ethoxyquinolin-2-yl)amino]ethyl]-3-(3-methoxyphenyl)urea
CID 3215183
N-[3-[(3-cyano-6-ethoxyquinolin-2-yl)amino]propyl]-3,4-difluorobenzamide
CID 3288689

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2-ethylbutanamide?
The IUPAC name of N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2-ethylbutanamide (CID 3213315) is N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2-ethylbutanamide is CCOc1ccc2nc(NCCNC(=O)C(CC)CC)c(C)cc2c1.
What is the InChIKey of N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2-ethylbutanamide?
The InChIKey is JBIREGVYKQOMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-5-15(6-2)20(24)22-11-10-21-19-14(4)12-16-13-17(25-7-3)8-9-18(16)23-19/h8-9,12-13,15H,5-7,10-11H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2-ethylbutanamide?
N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2-ethylbutanamide has a molecular weight of 343.47 g/mol, XLogP of 3.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2-ethylbutanamide is sourced from PubChem (CID 3213315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).