ethyl 6-bromo-4-(diethylamino)quinoline-3-carboxylate

C16H19BrN2O2 — CID 46397800

IUPACethyl 6-bromo-4-(diethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(Br)cc2c1N(CC)CC
InChIInChI=1S/C16H19BrN2O2/c1-4-19(5-2)15-12-9-11(17)7-8-14(12)18-10-13(15)16(20)21-6-3/h7-10H,4-6H2,1-3H3
InChIKeySKEVHVLZQXLMAU-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.02
Rot. Bonds5

About ethyl 6-bromo-4-(diethylamino)quinoline-3-carboxylate

ethyl 6-bromo-4-(diethylamino)quinoline-3-carboxylate (PubChem CID 46397800) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is ethyl 6-bromo-4-(diethylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-4-(diethylamino)quinoline-3-carboxylate
PubChem CID46397800
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Nameethyl 6-bromo-4-(diethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(Br)cc2c1N(CC)CC
InChIInChI=1S/C16H19BrN2O2/c1-4-19(5-2)15-12-9-11(17)7-8-14(12)18-10-13(15)16(20)21-6-3/h7-10H,4-6H2,1-3H3
InChIKeySKEVHVLZQXLMAU-UHFFFAOYSA-N
XLogP4.02
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 6-bromo-4-(diethylamino)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 7-bromo-4-(dimethylamino)quinoline-3-carboxylate
CID 50877246
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-hydroxycyclobutyl)amino]quinoline-3-carboxylate
CID 118503001
2-[(3-amino-6-bromoquinolin-4-yl)-ethylamino]-N-methylacetamide
CID 43621357
ethyl 6-bromo-4-[(3-methoxycyclobutyl)amino]quinoline-3-carboxylate
CID 118500047
ethyl 6-bromo-4-(3-chloroanilino)quinoline-3-carboxylate
CID 23848765
ethyl 6-bromo-4-(2-methyl-5-nitroanilino)quinoline-3-carboxylate
CID 155367892
3-O-ethyl 8-O-methyl 4-(diethylamino)quinoline-3,8-dicarboxylate
CID 53269421
ethyl 6-bromo-4-(4-propan-2-yloxycarbonylanilino)quinoline-3-carboxylate
CID 23853008
ethyl 6-bromo-4-[4-(2-methylpropoxy)anilino]quinoline-3-carboxylate
CID 23994873
diethyl 4-(dimethylamino)quinoline-3,7-dicarboxylate
CID 43839933

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-4-(diethylamino)quinoline-3-carboxylate?
The IUPAC name of ethyl 6-bromo-4-(diethylamino)quinoline-3-carboxylate (CID 46397800) is ethyl 6-bromo-4-(diethylamino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-bromo-4-(diethylamino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-bromo-4-(diethylamino)quinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(Br)cc2c1N(CC)CC.
What is the InChIKey of ethyl 6-bromo-4-(diethylamino)quinoline-3-carboxylate?
The InChIKey is SKEVHVLZQXLMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-4-19(5-2)15-12-9-11(17)7-8-14(12)18-10-13(15)16(20)21-6-3/h7-10H,4-6H2,1-3H3.
What are the key properties of ethyl 6-bromo-4-(diethylamino)quinoline-3-carboxylate?
ethyl 6-bromo-4-(diethylamino)quinoline-3-carboxylate has a molecular weight of 351.24 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-4-(diethylamino)quinoline-3-carboxylate is sourced from PubChem (CID 46397800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).