ethyl 6-[[7-[(2R)-2-aminopropanoyl]oxy-2-chloroquinolin-3-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate

C31H24ClFN4O6 — CID 88914282

IUPACethyl 6-[[7-[(2R)-2-aminopropanoyl]oxy-2-chloroquinolin-3-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate
SMILESCCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2ccc(OC(=O)[C@@H](C)N)cc2nc1Cl
InChIInChI=1S/C31H24ClFN4O6/c1-3-41-31(40)26-24(20-5-4-9-35-29(20)38)25-23(13-21(33)19-8-10-42-27(19)25)37(26)14-17-11-16-6-7-18(43-30(39)15(2)34)12-22(16)36-28(17)32/h4-13,15H,3,14,34H2,1-2H3,(H,35,38)/t15-/m1/s1
InChIKeyGAPIVNBCZVSIRU-OAHLLOKOSA-N
MW603.01 g/mol
LogP5.56
Rot. Bonds7

About ethyl 6-[[7-[(2R)-2-aminopropanoyl]oxy-2-chloroquinolin-3-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate

ethyl 6-[[7-[(2R)-2-aminopropanoyl]oxy-2-chloroquinolin-3-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate (PubChem CID 88914282) has the molecular formula C31H24ClFN4O6 and a molecular weight of 603.01 g/mol. Its IUPAC name is ethyl 6-[[7-[(2R)-2-aminopropanoyl]oxy-2-chloroquinolin-3-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[7-[(2R)-2-aminopropanoyl]oxy-2-chloroquinolin-3-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate
PubChem CID88914282
Molecular FormulaC31H24ClFN4O6
Molecular Weight603.01 g/mol
Exact Mass602.14
IUPAC Nameethyl 6-[[7-[(2R)-2-aminopropanoyl]oxy-2-chloroquinolin-3-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate
SMILESCCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2ccc(OC(=O)[C@@H](C)N)cc2nc1Cl
InChIInChI=1S/C31H24ClFN4O6/c1-3-41-31(40)26-24(20-5-4-9-35-29(20)38)25-23(13-21(33)19-8-10-42-27(19)25)37(26)14-17-11-16-6-7-18(43-30(39)15(2)34)12-22(16)36-28(17)32/h4-13,15H,3,14,34H2,1-2H3,(H,35,38)/t15-/m1/s1
InChIKeyGAPIVNBCZVSIRU-OAHLLOKOSA-N
XLogP5.56
TPSA142.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.01
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze ethyl 6-[[7-[(2R)-2-aminopropanoyl]oxy-2-chloroquinolin-3-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-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 6-[[7-[(2R)-2-aminopropanoyl]oxy-2-chloroquinolin-3-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate?
The IUPAC name of ethyl 6-[[7-[(2R)-2-aminopropanoyl]oxy-2-chloroquinolin-3-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate (CID 88914282) is ethyl 6-[[7-[(2R)-2-aminopropanoyl]oxy-2-chloroquinolin-3-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate.
What is the SMILES notation for ethyl 6-[[7-[(2R)-2-aminopropanoyl]oxy-2-chloroquinolin-3-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate?
The canonical SMILES for ethyl 6-[[7-[(2R)-2-aminopropanoyl]oxy-2-chloroquinolin-3-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate is CCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2ccc(OC(=O)[C@@H](C)N)cc2nc1Cl.
What is the InChIKey of ethyl 6-[[7-[(2R)-2-aminopropanoyl]oxy-2-chloroquinolin-3-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate?
The InChIKey is GAPIVNBCZVSIRU-OAHLLOKOSA-N. The full InChI is InChI=1S/C31H24ClFN4O6/c1-3-41-31(40)26-24(20-5-4-9-35-29(20)38)25-23(13-21(33)19-8-10-42-27(19)25)37(26)14-17-11-16-6-7-18(43-30(39)15(2)34)12-22(16)36-28(17)32/h4-13,15H,3,14,34H2,1-2H3,(H,35,38)/t15-/m1/s1.
What are the key properties of ethyl 6-[[7-[(2R)-2-aminopropanoyl]oxy-2-chloroquinolin-3-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate?
ethyl 6-[[7-[(2R)-2-aminopropanoyl]oxy-2-chloroquinolin-3-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate has a molecular weight of 603.01 g/mol, XLogP of 5.56, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[7-[(2R)-2-aminopropanoyl]oxy-2-chloroquinolin-3-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate is sourced from PubChem (CID 88914282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).