ethyl 6-chloro-4-oxo-3-phenyl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate

C20H15ClN2O3 — CID 164681090

IUPACethyl 6-chloro-4-oxo-3-phenyl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate
SMILESCCOC(=O)c1[nH]c2[nH]c3ccc(Cl)cc3c(=O)c2c1-c1ccccc1
InChIInChI=1S/C20H15ClN2O3/c1-2-26-20(25)17-15(11-6-4-3-5-7-11)16-18(24)13-10-12(21)8-9-14(13)22-19(16)23-17/h3-10H,2H2,1H3,(H2,22,23,24)
InChIKeyNXYSAKNPZJDYQS-UHFFFAOYSA-N
MW366.80 g/mol
LogP4.51
Rot. Bonds3

About ethyl 6-chloro-4-oxo-3-phenyl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate

ethyl 6-chloro-4-oxo-3-phenyl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate (PubChem CID 164681090) has the molecular formula C20H15ClN2O3 and a molecular weight of 366.80 g/mol. Its IUPAC name is ethyl 6-chloro-4-oxo-3-phenyl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-4-oxo-3-phenyl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate
PubChem CID164681090
Molecular FormulaC20H15ClN2O3
Molecular Weight366.80 g/mol
Exact Mass366.08
IUPAC Nameethyl 6-chloro-4-oxo-3-phenyl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate
SMILESCCOC(=O)c1[nH]c2[nH]c3ccc(Cl)cc3c(=O)c2c1-c1ccccc1
InChIInChI=1S/C20H15ClN2O3/c1-2-26-20(25)17-15(11-6-4-3-5-7-11)16-18(24)13-10-12(21)8-9-14(13)22-19(16)23-17/h3-10H,2H2,1H3,(H2,22,23,24)
InChIKeyNXYSAKNPZJDYQS-UHFFFAOYSA-N
XLogP4.51
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethyl 6-chloro-4-oxo-3-phenyl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate with MolForge

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Related Compounds

ethyl 3-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)benzoate
CID 59654994
ethyl 4-oxo-3-thiophen-2-yl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate
CID 177406339
ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate
CID 629761
ethyl 3-(4-chlorophenyl)-4-methyl-5-phenyl-1H-pyrrole-2-carboxylate
CID 12910346
ethyl 4-tert-butyl-3-phenyl-1H-indole-2-carboxylate
CID 69353100
ethyl 3-(4-chlorophenyl)-5-ethoxy-1H-indole-2-carboxylate
CID 94830137
diethyl 5-[3,5-bis(ethoxycarbonyl)-4-phenyl-1H-pyrrol-2-yl]-3-phenyl-1H-pyrrole-2,4-dicarboxylate
CID 11731481
ethyl 5-chloro-3-[methylsulfanyl(phenyl)methyl]-1H-indole-2-carboxylate
CID 127032041
ethyl 4-oxo-3-phenyl-1H-chromeno[4,3-b]pyrrole-2-carboxylate
CID 53377063
(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl) acetate
CID 174726646
ethyl 4,5-dichloro-3-(4-chlorophenyl)-1H-pyrrole-2-carboxylate
CID 177256247
ethyl 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxylate
CID 77245996

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-4-oxo-3-phenyl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate?
The IUPAC name of ethyl 6-chloro-4-oxo-3-phenyl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate (CID 164681090) is ethyl 6-chloro-4-oxo-3-phenyl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate.
What is the SMILES notation for ethyl 6-chloro-4-oxo-3-phenyl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate?
The canonical SMILES for ethyl 6-chloro-4-oxo-3-phenyl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate is CCOC(=O)c1[nH]c2[nH]c3ccc(Cl)cc3c(=O)c2c1-c1ccccc1.
What is the InChIKey of ethyl 6-chloro-4-oxo-3-phenyl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate?
The InChIKey is NXYSAKNPZJDYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O3/c1-2-26-20(25)17-15(11-6-4-3-5-7-11)16-18(24)13-10-12(21)8-9-14(13)22-19(16)23-17/h3-10H,2H2,1H3,(H2,22,23,24).
What are the key properties of ethyl 6-chloro-4-oxo-3-phenyl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate?
ethyl 6-chloro-4-oxo-3-phenyl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate has a molecular weight of 366.80 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-4-oxo-3-phenyl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate is sourced from PubChem (CID 164681090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).