ethyl (4-oxo-8-phenyl-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) carbonate

C20H16N2O4 — CID 68567690

IUPACethyl (4-oxo-8-phenyl-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) carbonate
SMILESCCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(-c4ccccc4)cc3c12
InChIInChI=1S/C20H16N2O4/c1-2-25-20(24)26-16-11-21-18-17(16)14-10-13(12-6-4-3-5-7-12)8-9-15(14)22-19(18)23/h3-11,21H,2H2,1H3,(H,22,23)
InChIKeyCSTPWSLOLGFZSJ-UHFFFAOYSA-N
MW348.36 g/mol
LogP4.21
Rot. Bonds3

About ethyl (4-oxo-8-phenyl-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) carbonate

ethyl (4-oxo-8-phenyl-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) carbonate (PubChem CID 68567690) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is ethyl (4-oxo-8-phenyl-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) carbonate.

Molecular Properties

Compound Nameethyl (4-oxo-8-phenyl-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) carbonate
PubChem CID68567690
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Nameethyl (4-oxo-8-phenyl-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) carbonate
SMILESCCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(-c4ccccc4)cc3c12
InChIInChI=1S/C20H16N2O4/c1-2-25-20(24)26-16-11-21-18-17(16)14-10-13(12-6-4-3-5-7-12)8-9-15(14)22-19(18)23/h3-11,21H,2H2,1H3,(H,22,23)
InChIKeyCSTPWSLOLGFZSJ-UHFFFAOYSA-N
XLogP4.21
TPSA84.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (8-naphthalen-1-yl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) carbonate
CID 68572703
ethyl [8-[3-(methylaminomethyl)phenyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] carbonate
CID 68567296
ethyl [8-[2-(methanesulfonamido)phenyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] carbonate
CID 68566106
(8-benzylsulfinyl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) ethyl carbonate
CID 68569234
(8-benzylsulfonyl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) ethyl carbonate
CID 68569515
[8-(4-aminobutylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] ethyl carbonate
CID 68566420
[8-[cyclopropyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] ethyl carbonate
CID 68562984
[8-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate
CID 68563491
[8-[cyclopropyl-[2-(propan-2-ylamino)ethyl]sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl] propyl carbonate
CID 68566960
8-(3-aminophenyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid
CID 68935629
3-[8-(3-hydroxyphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl]propanoic acid
CID 68939353
ethyl 8-[methoxy(phenyl)sulfamoyl]-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
CID 87499500

Frequently Asked Questions

What is the IUPAC name of ethyl (4-oxo-8-phenyl-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) carbonate?
The IUPAC name of ethyl (4-oxo-8-phenyl-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) carbonate (CID 68567690) is ethyl (4-oxo-8-phenyl-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) carbonate.
What is the SMILES notation for ethyl (4-oxo-8-phenyl-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) carbonate?
The canonical SMILES for ethyl (4-oxo-8-phenyl-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) carbonate is CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(-c4ccccc4)cc3c12.
What is the InChIKey of ethyl (4-oxo-8-phenyl-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) carbonate?
The InChIKey is CSTPWSLOLGFZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-2-25-20(24)26-16-11-21-18-17(16)14-10-13(12-6-4-3-5-7-12)8-9-15(14)22-19(18)23/h3-11,21H,2H2,1H3,(H,22,23).
What are the key properties of ethyl (4-oxo-8-phenyl-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) carbonate?
ethyl (4-oxo-8-phenyl-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) carbonate has a molecular weight of 348.36 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4-oxo-8-phenyl-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) carbonate is sourced from PubChem (CID 68567690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).