ethyl 6-[(2-chloro-6-fluoroquinolin-4-yl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate

C29H20ClF2N3O4 — CID 58371658

IUPACethyl 6-[(2-chloro-6-fluoroquinolin-4-yl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate
SMILESCCOC(=O)c1c(-c2cccnc2OC)c2c3occc3c(F)cc2n1Cc1cc(Cl)nc2ccc(F)cc12
InChIInChI=1S/C29H20ClF2N3O4/c1-3-38-29(36)26-24(18-5-4-9-33-28(18)37-2)25-22(13-20(32)17-8-10-39-27(17)25)35(26)14-15-11-23(30)34-21-7-6-16(31)12-19(15)21/h4-13H,3,14H2,1-2H3
InChIKeyUOHSVDBFRSCGNV-UHFFFAOYSA-N
MW547.95 g/mol
LogP7.16
Rot. Bonds6

About ethyl 6-[(2-chloro-6-fluoroquinolin-4-yl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate

ethyl 6-[(2-chloro-6-fluoroquinolin-4-yl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate (PubChem CID 58371658) has the molecular formula C29H20ClF2N3O4 and a molecular weight of 547.95 g/mol. Its IUPAC name is ethyl 6-[(2-chloro-6-fluoroquinolin-4-yl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(2-chloro-6-fluoroquinolin-4-yl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate
PubChem CID58371658
Molecular FormulaC29H20ClF2N3O4
Molecular Weight547.95 g/mol
Exact Mass547.11
IUPAC Nameethyl 6-[(2-chloro-6-fluoroquinolin-4-yl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate
SMILESCCOC(=O)c1c(-c2cccnc2OC)c2c3occc3c(F)cc2n1Cc1cc(Cl)nc2ccc(F)cc12
InChIInChI=1S/C29H20ClF2N3O4/c1-3-38-29(36)26-24(18-5-4-9-33-28(18)37-2)25-22(13-20(32)17-8-10-39-27(17)25)35(26)14-15-11-23(30)34-21-7-6-16(31)12-19(15)21/h4-13H,3,14H2,1-2H3
InChIKeyUOHSVDBFRSCGNV-UHFFFAOYSA-N
XLogP7.16
TPSA79.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.95
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 6-[(2-chloro-6-fluoroquinolin-4-yl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)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

Related Compounds

CID 25172916
CID 25172916
CID 25173546
CID 25173546
CID 44546719
CID 44546719
CID 49774150
CID 49774150
CID 49774153
CID 49774153
CID 49774170
CID 49774170
CID 49774171
CID 49774171
CID 58371522
CID 58371522
CID 58371651
CID 58371651
CID 59283458
CID 59283458
CID 68263702
CID 68263702
CID 136135410
CID 136135410

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(2-chloro-6-fluoroquinolin-4-yl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate?
The IUPAC name of ethyl 6-[(2-chloro-6-fluoroquinolin-4-yl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate (CID 58371658) is ethyl 6-[(2-chloro-6-fluoroquinolin-4-yl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate.
What is the SMILES notation for ethyl 6-[(2-chloro-6-fluoroquinolin-4-yl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate?
The canonical SMILES for ethyl 6-[(2-chloro-6-fluoroquinolin-4-yl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate is CCOC(=O)c1c(-c2cccnc2OC)c2c3occc3c(F)cc2n1Cc1cc(Cl)nc2ccc(F)cc12.
What is the InChIKey of ethyl 6-[(2-chloro-6-fluoroquinolin-4-yl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate?
The InChIKey is UOHSVDBFRSCGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20ClF2N3O4/c1-3-38-29(36)26-24(18-5-4-9-33-28(18)37-2)25-22(13-20(32)17-8-10-39-27(17)25)35(26)14-15-11-23(30)34-21-7-6-16(31)12-19(15)21/h4-13H,3,14H2,1-2H3.
What are the key properties of ethyl 6-[(2-chloro-6-fluoroquinolin-4-yl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate?
ethyl 6-[(2-chloro-6-fluoroquinolin-4-yl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate has a molecular weight of 547.95 g/mol, XLogP of 7.16, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(2-chloro-6-fluoroquinolin-4-yl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate is sourced from PubChem (CID 58371658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).