butyl (4R)-4-ethyl-7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate

C17H25NO3 — CID 91310287

IUPACbutyl (4R)-4-ethyl-7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCCCCOC(=O)N1CC[C@@H](CC)c2ccc(OC)cc21
InChIInChI=1S/C17H25NO3/c1-4-6-11-21-17(19)18-10-9-13(5-2)15-8-7-14(20-3)12-16(15)18/h7-8,12-13H,4-6,9-11H2,1-3H3/t13-/m1/s1
InChIKeyOEUPHQODFFUANI-CYBMUJFWSA-N
MW291.39 g/mol
LogP4.34
Rot. Bonds5

About butyl (4R)-4-ethyl-7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate

butyl (4R)-4-ethyl-7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 91310287) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is butyl (4R)-4-ethyl-7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Namebutyl (4R)-4-ethyl-7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID91310287
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namebutyl (4R)-4-ethyl-7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCCCCOC(=O)N1CC[C@@H](CC)c2ccc(OC)cc21
InChIInChI=1S/C17H25NO3/c1-4-6-11-21-17(19)18-10-9-13(5-2)15-8-7-14(20-3)12-16(15)18/h7-8,12-13H,4-6,9-11H2,1-3H3/t13-/m1/s1
InChIKeyOEUPHQODFFUANI-CYBMUJFWSA-N
XLogP4.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze butyl (4R)-4-ethyl-7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate 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

4-hydroxy-7-methoxy-N-propyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110637157
cyclobutyl-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110637163
butyl 4-[(3-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559738
1-[6-(3-chlorophenoxy)-4-ethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 142306751
7-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 83764036
butyl 3-(cyanomethyl)-5-methoxy-2-oxo-3H-indole-1-carboxylate
CID 91692892
(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone
CID 110637097
1-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,3-diphenylpropan-1-one
CID 110637106
butyl 4-ethyl-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 146174169
(3,4-dichlorophenyl)-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110637100
butyl 2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate
CID 90057870
9H-fluoren-9-ylmethyl (4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 167639273

Frequently Asked Questions

What is the IUPAC name of butyl (4R)-4-ethyl-7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of butyl (4R)-4-ethyl-7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate (CID 91310287) is butyl (4R)-4-ethyl-7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for butyl (4R)-4-ethyl-7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for butyl (4R)-4-ethyl-7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate is CCCCOC(=O)N1CC[C@@H](CC)c2ccc(OC)cc21.
What is the InChIKey of butyl (4R)-4-ethyl-7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is OEUPHQODFFUANI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-6-11-21-17(19)18-10-9-13(5-2)15-8-7-14(20-3)12-16(15)18/h7-8,12-13H,4-6,9-11H2,1-3H3/t13-/m1/s1.
What are the key properties of butyl (4R)-4-ethyl-7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate?
butyl (4R)-4-ethyl-7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (4R)-4-ethyl-7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 91310287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).