ethyl 2-[(3-ethoxy-3-oxopropyl)-methylamino]-6,7-difluoroquinoline-3-carboxylate

C18H20F2N2O4 — CID 11728248

IUPACethyl 2-[(3-ethoxy-3-oxopropyl)-methylamino]-6,7-difluoroquinoline-3-carboxylate
SMILESCCOC(=O)CCN(C)c1nc2cc(F)c(F)cc2cc1C(=O)OCC
InChIInChI=1S/C18H20F2N2O4/c1-4-25-16(23)6-7-22(3)17-12(18(24)26-5-2)8-11-9-13(19)14(20)10-15(11)21-17/h8-10H,4-7H2,1-3H3
InChIKeyCUZPJQYPKHIQNT-UHFFFAOYSA-N
MW366.36 g/mol
LogP3.08
Rot. Bonds7

About ethyl 2-[(3-ethoxy-3-oxopropyl)-methylamino]-6,7-difluoroquinoline-3-carboxylate

ethyl 2-[(3-ethoxy-3-oxopropyl)-methylamino]-6,7-difluoroquinoline-3-carboxylate (PubChem CID 11728248) has the molecular formula C18H20F2N2O4 and a molecular weight of 366.36 g/mol. Its IUPAC name is ethyl 2-[(3-ethoxy-3-oxopropyl)-methylamino]-6,7-difluoroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3-ethoxy-3-oxopropyl)-methylamino]-6,7-difluoroquinoline-3-carboxylate
PubChem CID11728248
Molecular FormulaC18H20F2N2O4
Molecular Weight366.36 g/mol
Exact Mass366.14
IUPAC Nameethyl 2-[(3-ethoxy-3-oxopropyl)-methylamino]-6,7-difluoroquinoline-3-carboxylate
SMILESCCOC(=O)CCN(C)c1nc2cc(F)c(F)cc2cc1C(=O)OCC
InChIInChI=1S/C18H20F2N2O4/c1-4-25-16(23)6-7-22(3)17-12(18(24)26-5-2)8-11-9-13(19)14(20)10-15(11)21-17/h8-10H,4-7H2,1-3H3
InChIKeyCUZPJQYPKHIQNT-UHFFFAOYSA-N
XLogP3.08
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(3-ethoxy-3-oxopropyl)-methylamino]-6,7-difluoroquinoline-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 4-[(3-ethoxy-3-oxopropyl)-methylamino]-2-methylsulfanylpyrimidine-5-carboxylate
CID 67983089
ethyl 3-[(3,5-difluoro-2-pyridinyl)-methylamino]propanoate
CID 112676422
ethyl 3-[(3,4-difluorophenyl)methyl-methylamino]propanoate
CID 113221274
diethyl 6-fluoroquinoline-2,3-dicarboxylate
CID 13351927
ethyl 3-[(4-carbamothioylpyridazin-3-yl)-methylamino]propanoate
CID 80511255
3-[(6,7-difluoroquinolin-2-yl)-methylamino]propanamide
CID 18994581
ethyl 3-[(7-methoxyisoquinolin-1-yl)-methylamino]propanoate
CID 106541958
ethyl 3-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]propanoate
CID 79718648
ethyl 7-[ethyl(methyl)amino]-6-fluoro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 66602193
ethyl 2-(2,3-difluoroquinolin-6-yl)acetate
CID 122658727
methyl 4-[(3-ethoxy-3-oxopropyl)-methylamino]pyrimidine-2-carboxylate
CID 66287348
ethyl 3-[furo[3,2-c]pyridin-4-yl(methyl)amino]propanoate
CID 103911820

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-ethoxy-3-oxopropyl)-methylamino]-6,7-difluoroquinoline-3-carboxylate?
The IUPAC name of ethyl 2-[(3-ethoxy-3-oxopropyl)-methylamino]-6,7-difluoroquinoline-3-carboxylate (CID 11728248) is ethyl 2-[(3-ethoxy-3-oxopropyl)-methylamino]-6,7-difluoroquinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-[(3-ethoxy-3-oxopropyl)-methylamino]-6,7-difluoroquinoline-3-carboxylate?
The canonical SMILES for ethyl 2-[(3-ethoxy-3-oxopropyl)-methylamino]-6,7-difluoroquinoline-3-carboxylate is CCOC(=O)CCN(C)c1nc2cc(F)c(F)cc2cc1C(=O)OCC.
What is the InChIKey of ethyl 2-[(3-ethoxy-3-oxopropyl)-methylamino]-6,7-difluoroquinoline-3-carboxylate?
The InChIKey is CUZPJQYPKHIQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O4/c1-4-25-16(23)6-7-22(3)17-12(18(24)26-5-2)8-11-9-13(19)14(20)10-15(11)21-17/h8-10H,4-7H2,1-3H3.
What are the key properties of ethyl 2-[(3-ethoxy-3-oxopropyl)-methylamino]-6,7-difluoroquinoline-3-carboxylate?
ethyl 2-[(3-ethoxy-3-oxopropyl)-methylamino]-6,7-difluoroquinoline-3-carboxylate has a molecular weight of 366.36 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-ethoxy-3-oxopropyl)-methylamino]-6,7-difluoroquinoline-3-carboxylate is sourced from PubChem (CID 11728248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).