methyl 3-(3-chlorophenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate

C19H14ClNO3 — CID 176564325

IUPACmethyl 3-(3-chlorophenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]c2c(c1-c1cccc(Cl)c1)COc1ccccc1-2
InChIInChI=1S/C19H14ClNO3/c1-23-19(22)18-16(11-5-4-6-12(20)9-11)14-10-24-15-8-3-2-7-13(15)17(14)21-18/h2-9,21H,10H2,1H3
InChIKeyQQWTXKMOXLVFEM-UHFFFAOYSA-N
MW339.78 g/mol
LogP4.68
Rot. Bonds2

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

methyl 3-(3-chlorophenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate (PubChem CID 176564325) has the molecular formula C19H14ClNO3 and a molecular weight of 339.78 g/mol. Its IUPAC name is methyl 3-(3-chlorophenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-chlorophenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate
PubChem CID176564325
Molecular FormulaC19H14ClNO3
Molecular Weight339.78 g/mol
Exact Mass339.07
IUPAC Namemethyl 3-(3-chlorophenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]c2c(c1-c1cccc(Cl)c1)COc1ccccc1-2
InChIInChI=1S/C19H14ClNO3/c1-23-19(22)18-16(11-5-4-6-12(20)9-11)14-10-24-15-8-3-2-7-13(15)17(14)21-18/h2-9,21H,10H2,1H3
InChIKeyQQWTXKMOXLVFEM-UHFFFAOYSA-N
XLogP4.68
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-phenyl-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate
CID 12559936
3-(3-chlorophenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylic acid
CID 176564323
methyl 3-(3-chlorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylate
CID 166154515
methyl 3-(4-fluoro-2-methylphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate
CID 176564289
methyl 3-(5-fluoro-2-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate
CID 176564305
methyl 8-fluoro-3-(3-fluoro-5-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate
CID 176564285
methyl 3-(5-chloro-2-methoxyphenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylate
CID 166154523
methyl 3-(3,5-dichlorophenyl)-4-ethyl-5-phenyl-1H-pyrrole-2-carboxylate
CID 135385224
methyl 3-(3-chlorophenyl)-5,6-dimethoxy-1H-indole-2-carboxylate
CID 11573768
methyl 4-(3-chlorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate
CID 117225195
methyl 4-(3-chlorophenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 156703620
methyl 5-(3-chlorophenyl)-2-sulfanylidene-3H-1,3-thiazole-4-carboxylate
CID 53271225

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-chlorophenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate?
The IUPAC name of methyl 3-(3-chlorophenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate (CID 176564325) is methyl 3-(3-chlorophenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 3-(3-chlorophenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate?
The canonical SMILES for methyl 3-(3-chlorophenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate is COC(=O)c1[nH]c2c(c1-c1cccc(Cl)c1)COc1ccccc1-2.
What is the InChIKey of methyl 3-(3-chlorophenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate?
The InChIKey is QQWTXKMOXLVFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO3/c1-23-19(22)18-16(11-5-4-6-12(20)9-11)14-10-24-15-8-3-2-7-13(15)17(14)21-18/h2-9,21H,10H2,1H3.
What are the key properties of methyl 3-(3-chlorophenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate?
methyl 3-(3-chlorophenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate has a molecular weight of 339.78 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-chlorophenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate is sourced from PubChem (CID 176564325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).