ethyl 1-benzyl-8-oxo-7-phenyl-5,9-dihydro-4H-pyrrolo[3,2-h]quinoline-2-carboxylate

C27H24N2O3 — CID 162425649

IUPACethyl 1-benzyl-8-oxo-7-phenyl-5,9-dihydro-4H-pyrrolo[3,2-h]quinoline-2-carboxylate
SMILESCCOC(=O)c1cc2c(n1Cc1ccccc1)-c1[nH]c(=O)c(-c3ccccc3)cc1CC2
InChIInChI=1S/C27H24N2O3/c1-2-32-27(31)23-16-21-14-13-20-15-22(19-11-7-4-8-12-19)26(30)28-24(20)25(21)29(23)17-18-9-5-3-6-10-18/h3-12,15-16H,2,13-14,17H2,1H3,(H,28,30)
InChIKeyLCQAXRGVCJAEDP-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.83
Rot. Bonds5

About ethyl 1-benzyl-8-oxo-7-phenyl-5,9-dihydro-4H-pyrrolo[3,2-h]quinoline-2-carboxylate

ethyl 1-benzyl-8-oxo-7-phenyl-5,9-dihydro-4H-pyrrolo[3,2-h]quinoline-2-carboxylate (PubChem CID 162425649) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is ethyl 1-benzyl-8-oxo-7-phenyl-5,9-dihydro-4H-pyrrolo[3,2-h]quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-8-oxo-7-phenyl-5,9-dihydro-4H-pyrrolo[3,2-h]quinoline-2-carboxylate
PubChem CID162425649
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC Nameethyl 1-benzyl-8-oxo-7-phenyl-5,9-dihydro-4H-pyrrolo[3,2-h]quinoline-2-carboxylate
SMILESCCOC(=O)c1cc2c(n1Cc1ccccc1)-c1[nH]c(=O)c(-c3ccccc3)cc1CC2
InChIInChI=1S/C27H24N2O3/c1-2-32-27(31)23-16-21-14-13-20-15-22(19-11-7-4-8-12-19)26(30)28-24(20)25(21)29(23)17-18-9-5-3-6-10-18/h3-12,15-16H,2,13-14,17H2,1H3,(H,28,30)
InChIKeyLCQAXRGVCJAEDP-UHFFFAOYSA-N
XLogP4.83
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1-benzyl-8-oxo-7-phenyl-5,9-dihydro-4H-pyrrolo[3,2-h]quinoline-2-carboxylate with MolForge

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Related Compounds

ethyl 8-oxo-7-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]-5,9-dihydro-4H-pyrrolo[3,2-h]quinoline-2-carboxylate
CID 162425656
ethyl 5-bromo-3-[(4-methylphenyl)methyl]-13-oxo-12-phenyl-3,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11-tetraene-4-carboxylate
CID 162425570
ethyl 1-[(2,4-dimethylphenyl)methyl]-8-oxo-7-phenyl-5,9-dihydro-4H-pyrrolo[3,2-h]quinoline-2-carboxylate;ethyl 1-[(4-methylphenyl)methyl]-7-(4-methylphenyl)sulfonyl-8-oxo-5,9-dihydro-4H-pyrrolo[3,2-h]quinoline-2-carboxylate;methyl 1-[(2-methylphenyl)methyl]-8-oxo-7-phenyl-5,9-dihydro-4H-pyrrolo[3,2-h]quinoline-2-carboxylate;propan-2-yl 1-[(4-methylphenyl)methyl]-8-oxo-7-phenyl-5,9-dihydro-4H-pyrrolo[3,2-h]quinoline-2-carboxylate;tris(sulfur dioxide)
CID 163451088
ethyl 1-benzyl-7-(hydroxymethylidene)-8-oxo-5,6-dihydro-4H-cyclohepta[b]pyrrole-2-carboxylate
CID 145189628
ethyl 7-(benzenesulfonyl)-3-bromo-1-[(4-methylphenyl)methyl]-8-oxo-5,9-dihydro-4H-pyrrolo[3,2-h]quinoline-2-carboxylate
CID 151557814
ethyl 1-benzyl-5-oxo-7-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate
CID 15356243
ethyl 6-(dimethylaminomethylidene)-1-[(2-methylphenyl)methyl]-7-oxo-4,5-dihydroindole-2-carboxylate
CID 162425709
ethyl 3-benzyl-2-oxo-4-phenylimidazole-1-carboxylate
CID 10426272
diethyl 1-benzyl-3,4-dihydroxypyrrole-2,5-dicarboxylate
CID 54682554
ethyl 3-benzyl-2-methyl-4-oxoindeno[2,1-b]pyrrole-1-carboxylate
CID 14341438
ethyl 3-benzyl-5-methyl-2-phenylimidazole-4-carboxylate
CID 46929836
ethyl 1-benzyl-3,4-diphenylpyrrole-2-carboxylate
CID 10915918

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-8-oxo-7-phenyl-5,9-dihydro-4H-pyrrolo[3,2-h]quinoline-2-carboxylate?
The IUPAC name of ethyl 1-benzyl-8-oxo-7-phenyl-5,9-dihydro-4H-pyrrolo[3,2-h]quinoline-2-carboxylate (CID 162425649) is ethyl 1-benzyl-8-oxo-7-phenyl-5,9-dihydro-4H-pyrrolo[3,2-h]quinoline-2-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-8-oxo-7-phenyl-5,9-dihydro-4H-pyrrolo[3,2-h]quinoline-2-carboxylate?
The canonical SMILES for ethyl 1-benzyl-8-oxo-7-phenyl-5,9-dihydro-4H-pyrrolo[3,2-h]quinoline-2-carboxylate is CCOC(=O)c1cc2c(n1Cc1ccccc1)-c1[nH]c(=O)c(-c3ccccc3)cc1CC2.
What is the InChIKey of ethyl 1-benzyl-8-oxo-7-phenyl-5,9-dihydro-4H-pyrrolo[3,2-h]quinoline-2-carboxylate?
The InChIKey is LCQAXRGVCJAEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3/c1-2-32-27(31)23-16-21-14-13-20-15-22(19-11-7-4-8-12-19)26(30)28-24(20)25(21)29(23)17-18-9-5-3-6-10-18/h3-12,15-16H,2,13-14,17H2,1H3,(H,28,30).
What are the key properties of ethyl 1-benzyl-8-oxo-7-phenyl-5,9-dihydro-4H-pyrrolo[3,2-h]quinoline-2-carboxylate?
ethyl 1-benzyl-8-oxo-7-phenyl-5,9-dihydro-4H-pyrrolo[3,2-h]quinoline-2-carboxylate has a molecular weight of 424.50 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-8-oxo-7-phenyl-5,9-dihydro-4H-pyrrolo[3,2-h]quinoline-2-carboxylate is sourced from PubChem (CID 162425649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).