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

C24H18N2O4 — CID 68572703

IUPACethyl (8-naphthalen-1-yl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) carbonate
SMILESCCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(-c4cccc5ccccc45)cc3c12
InChIInChI=1S/C24H18N2O4/c1-2-29-24(28)30-20-13-25-22-21(20)18-12-15(10-11-19(18)26-23(22)27)17-9-5-7-14-6-3-4-8-16(14)17/h3-13,25H,2H2,1H3,(H,26,27)
InChIKeyGTYROBQOZBWANE-UHFFFAOYSA-N
MW398.42 g/mol
LogP5.36
Rot. Bonds3

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

ethyl (8-naphthalen-1-yl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) carbonate (PubChem CID 68572703) has the molecular formula C24H18N2O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is ethyl (8-naphthalen-1-yl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) carbonate.

Molecular Properties

Compound Nameethyl (8-naphthalen-1-yl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) carbonate
PubChem CID68572703
Molecular FormulaC24H18N2O4
Molecular Weight398.42 g/mol
Exact Mass398.13
IUPAC Nameethyl (8-naphthalen-1-yl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) carbonate
SMILESCCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(-c4cccc5ccccc45)cc3c12
InChIInChI=1S/C24H18N2O4/c1-2-29-24(28)30-20-13-25-22-21(20)18-12-15(10-11-19(18)26-23(22)27)17-9-5-7-14-6-3-4-8-16(14)17/h3-13,25H,2H2,1H3,(H,26,27)
InChIKeyGTYROBQOZBWANE-UHFFFAOYSA-N
XLogP5.36
TPSA84.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.42
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (8-naphthalen-1-yl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) carbonate?
The IUPAC name of ethyl (8-naphthalen-1-yl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) carbonate (CID 68572703) is ethyl (8-naphthalen-1-yl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) carbonate.
What is the SMILES notation for ethyl (8-naphthalen-1-yl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) carbonate?
The canonical SMILES for ethyl (8-naphthalen-1-yl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) carbonate is CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(-c4cccc5ccccc45)cc3c12.
What is the InChIKey of ethyl (8-naphthalen-1-yl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) carbonate?
The InChIKey is GTYROBQOZBWANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4/c1-2-29-24(28)30-20-13-25-22-21(20)18-12-15(10-11-19(18)26-23(22)27)17-9-5-7-14-6-3-4-8-16(14)17/h3-13,25H,2H2,1H3,(H,26,27).
What are the key properties of ethyl (8-naphthalen-1-yl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) carbonate?
ethyl (8-naphthalen-1-yl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) carbonate has a molecular weight of 398.42 g/mol, XLogP of 5.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (8-naphthalen-1-yl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-1-yl) carbonate is sourced from PubChem (CID 68572703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).