methyl 3-(5-fluoro-2-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate

C20H16FNO4 — CID 176564305

IUPACmethyl 3-(5-fluoro-2-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]c2c(c1-c1cc(F)ccc1OC)COc1ccccc1-2
InChIInChI=1S/C20H16FNO4/c1-24-15-8-7-11(21)9-13(15)17-14-10-26-16-6-4-3-5-12(16)18(14)22-19(17)20(23)25-2/h3-9,22H,10H2,1-2H3
InChIKeyUBPXULGBSXRQPL-UHFFFAOYSA-N
MW353.35 g/mol
LogP4.18
Rot. Bonds3

About methyl 3-(5-fluoro-2-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate

methyl 3-(5-fluoro-2-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate (PubChem CID 176564305) has the molecular formula C20H16FNO4 and a molecular weight of 353.35 g/mol. Its IUPAC name is methyl 3-(5-fluoro-2-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(5-fluoro-2-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate
PubChem CID176564305
Molecular FormulaC20H16FNO4
Molecular Weight353.35 g/mol
Exact Mass353.11
IUPAC Namemethyl 3-(5-fluoro-2-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]c2c(c1-c1cc(F)ccc1OC)COc1ccccc1-2
InChIInChI=1S/C20H16FNO4/c1-24-15-8-7-11(21)9-13(15)17-14-10-26-16-6-4-3-5-12(16)18(14)22-19(17)20(23)25-2/h3-9,22H,10H2,1-2H3
InChIKeyUBPXULGBSXRQPL-UHFFFAOYSA-N
XLogP4.18
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-(5-fluoro-2-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-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

methyl 3-phenyl-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate
CID 12559936
methyl 8-fluoro-3-(3-fluoro-5-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate
CID 176564285
methyl 3-(3-chlorophenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate
CID 176564325
methyl 3-(5-chloro-2-methoxyphenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylate
CID 166154523
3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid
CID 166154545
5-(5-fluoro-2-methoxyphenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid
CID 116824039
methyl 4-(2-methoxyphenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate
CID 117225231
methyl 3-(3-chlorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylate
CID 166154515
2-[4-fluoro-2-(2-methoxyphenyl)phenyl]acetic acid
CID 162623487
4-methoxycarbonyl-2H-chromene-3-carboxylic acid
CID 169275789
4-fluoro-1-methoxy-2-(2-phenylphenyl)benzene
CID 69117197
methyl 2-(2-methoxyphenyl)-1H-pyrrole-3-carboxylate
CID 10922361

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-fluoro-2-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate?
The IUPAC name of methyl 3-(5-fluoro-2-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate (CID 176564305) is methyl 3-(5-fluoro-2-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 3-(5-fluoro-2-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate?
The canonical SMILES for methyl 3-(5-fluoro-2-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate is COC(=O)c1[nH]c2c(c1-c1cc(F)ccc1OC)COc1ccccc1-2.
What is the InChIKey of methyl 3-(5-fluoro-2-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate?
The InChIKey is UBPXULGBSXRQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO4/c1-24-15-8-7-11(21)9-13(15)17-14-10-26-16-6-4-3-5-12(16)18(14)22-19(17)20(23)25-2/h3-9,22H,10H2,1-2H3.
What are the key properties of methyl 3-(5-fluoro-2-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate?
methyl 3-(5-fluoro-2-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate has a molecular weight of 353.35 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-fluoro-2-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate is sourced from PubChem (CID 176564305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).