ethyl 4-(furan-2-ylmethylamino)-8-methylquinoline-3-carboxylate

C18H18N2O3 — CID 702630

IUPACethyl 4-(furan-2-ylmethylamino)-8-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cccc2c1NCc1ccco1
InChIInChI=1S/C18H18N2O3/c1-3-22-18(21)15-11-20-16-12(2)6-4-8-14(16)17(15)19-10-13-7-5-9-23-13/h4-9,11H,3,10H2,1-2H3,(H,19,20)
InChIKeyQDOWIAMDIQTEBJ-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.93
Rot. Bonds5

About ethyl 4-(furan-2-ylmethylamino)-8-methylquinoline-3-carboxylate

ethyl 4-(furan-2-ylmethylamino)-8-methylquinoline-3-carboxylate (PubChem CID 702630) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is ethyl 4-(furan-2-ylmethylamino)-8-methylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(furan-2-ylmethylamino)-8-methylquinoline-3-carboxylate
PubChem CID702630
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Nameethyl 4-(furan-2-ylmethylamino)-8-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cccc2c1NCc1ccco1
InChIInChI=1S/C18H18N2O3/c1-3-22-18(21)15-11-20-16-12(2)6-4-8-14(16)17(15)19-10-13-7-5-9-23-13/h4-9,11H,3,10H2,1-2H3,(H,19,20)
InChIKeyQDOWIAMDIQTEBJ-UHFFFAOYSA-N
XLogP3.93
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(furan-2-ylmethylamino)-8-methylquinoline-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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(furan-2-ylmethylamino)-8-methylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-(furan-2-ylmethylamino)-8-methylquinoline-3-carboxylate (CID 702630) is ethyl 4-(furan-2-ylmethylamino)-8-methylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(furan-2-ylmethylamino)-8-methylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(furan-2-ylmethylamino)-8-methylquinoline-3-carboxylate is CCOC(=O)c1cnc2c(C)cccc2c1NCc1ccco1.
What is the InChIKey of ethyl 4-(furan-2-ylmethylamino)-8-methylquinoline-3-carboxylate?
The InChIKey is QDOWIAMDIQTEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-3-22-18(21)15-11-20-16-12(2)6-4-8-14(16)17(15)19-10-13-7-5-9-23-13/h4-9,11H,3,10H2,1-2H3,(H,19,20).
What are the key properties of ethyl 4-(furan-2-ylmethylamino)-8-methylquinoline-3-carboxylate?
ethyl 4-(furan-2-ylmethylamino)-8-methylquinoline-3-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(furan-2-ylmethylamino)-8-methylquinoline-3-carboxylate is sourced from PubChem (CID 702630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).