ethyl 6-bromo-4-[(3-methoxycyclobutyl)amino]quinoline-3-carboxylate

C17H19BrN2O3 — CID 118500047

IUPACethyl 6-bromo-4-[(3-methoxycyclobutyl)amino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(Br)cc2c1NC1CC(OC)C1
InChIInChI=1S/C17H19BrN2O3/c1-3-23-17(21)14-9-19-15-5-4-10(18)6-13(15)16(14)20-11-7-12(8-11)22-2/h4-6,9,11-12H,3,7-8H2,1-2H3,(H,19,20)
InChIKeyVWBVYAGWTIBFKX-UHFFFAOYSA-N
MW379.25 g/mol
LogP3.76
Rot. Bonds5

About ethyl 6-bromo-4-[(3-methoxycyclobutyl)amino]quinoline-3-carboxylate

ethyl 6-bromo-4-[(3-methoxycyclobutyl)amino]quinoline-3-carboxylate (PubChem CID 118500047) has the molecular formula C17H19BrN2O3 and a molecular weight of 379.25 g/mol. Its IUPAC name is ethyl 6-bromo-4-[(3-methoxycyclobutyl)amino]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-4-[(3-methoxycyclobutyl)amino]quinoline-3-carboxylate
PubChem CID118500047
Molecular FormulaC17H19BrN2O3
Molecular Weight379.25 g/mol
Exact Mass378.06
IUPAC Nameethyl 6-bromo-4-[(3-methoxycyclobutyl)amino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(Br)cc2c1NC1CC(OC)C1
InChIInChI=1S/C17H19BrN2O3/c1-3-23-17(21)14-9-19-15-5-4-10(18)6-13(15)16(14)20-11-7-12(8-11)22-2/h4-6,9,11-12H,3,7-8H2,1-2H3,(H,19,20)
InChIKeyVWBVYAGWTIBFKX-UHFFFAOYSA-N
XLogP3.76
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 6-bromo-4-[(3-methoxycyclobutyl)amino]quinoline-3-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

ethyl 6-bromo-4-[(3-hydroxycyclobutyl)amino]quinoline-3-carboxylate
CID 118503001
ethyl 4-(cyclohexylamino)-6-ethoxyquinoline-3-carboxylate
CID 696570
ethyl 6-bromo-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate
CID 992369
ethyl 4-(4-acetylanilino)-6-bromoquinoline-3-carboxylate
CID 1189464
ethyl 6-bromo-4-(3-chloroanilino)quinoline-3-carboxylate
CID 23848765
ethyl 6-bromo-4-(cyclopropylamino)-7-(trifluoromethyl)quinoline-3-carboxylate
CID 151614277
ethyl 6-bromo-4-(diethylamino)quinoline-3-carboxylate
CID 46397800
ethyl 6-bromo-4-[4-(2-methylpropoxy)anilino]quinoline-3-carboxylate
CID 23994873
ethyl 6-bromo-4-(4-propan-2-yloxycarbonylanilino)quinoline-3-carboxylate
CID 23853008
ethyl 4-(2,6-dimethylanilino)-6-(dimethylcarbamoyl)quinoline-3-carboxylate
CID 25020285
ethyl 6-bromo-4-(2-methyl-5-nitroanilino)quinoline-3-carboxylate
CID 155367892
ethyl 4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138624616

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-4-[(3-methoxycyclobutyl)amino]quinoline-3-carboxylate?
The IUPAC name of ethyl 6-bromo-4-[(3-methoxycyclobutyl)amino]quinoline-3-carboxylate (CID 118500047) is ethyl 6-bromo-4-[(3-methoxycyclobutyl)amino]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-bromo-4-[(3-methoxycyclobutyl)amino]quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-bromo-4-[(3-methoxycyclobutyl)amino]quinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(Br)cc2c1NC1CC(OC)C1.
What is the InChIKey of ethyl 6-bromo-4-[(3-methoxycyclobutyl)amino]quinoline-3-carboxylate?
The InChIKey is VWBVYAGWTIBFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3/c1-3-23-17(21)14-9-19-15-5-4-10(18)6-13(15)16(14)20-11-7-12(8-11)22-2/h4-6,9,11-12H,3,7-8H2,1-2H3,(H,19,20).
What are the key properties of ethyl 6-bromo-4-[(3-methoxycyclobutyl)amino]quinoline-3-carboxylate?
ethyl 6-bromo-4-[(3-methoxycyclobutyl)amino]quinoline-3-carboxylate has a molecular weight of 379.25 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-4-[(3-methoxycyclobutyl)amino]quinoline-3-carboxylate is sourced from PubChem (CID 118500047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).