ethyl 4-(2-ethoxycarbonyl-3H-pyrrolo[2,3-c]quinolin-4-yl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate

C28H22N4O4 — CID 10961810

IUPACethyl 4-(2-ethoxycarbonyl-3H-pyrrolo[2,3-c]quinolin-4-yl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate
SMILESCCOC(=O)c1cc2c([nH]1)c(-c1nc3ccccc3c3cc(C(=O)OCC)[nH]c13)nc1ccccc12
InChIInChI=1S/C28H22N4O4/c1-3-35-27(33)21-13-17-15-9-5-7-11-19(15)29-25(23(17)31-21)26-24-18(14-22(32-24)28(34)36-4-2)16-10-6-8-12-20(16)30-26/h5-14,31-32H,3-4H2,1-2H3
InChIKeyQAVXDYZTBRYXMA-UHFFFAOYSA-N
MW478.51 g/mol
LogP5.77
Rot. Bonds5

About ethyl 4-(2-ethoxycarbonyl-3H-pyrrolo[2,3-c]quinolin-4-yl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate

ethyl 4-(2-ethoxycarbonyl-3H-pyrrolo[2,3-c]quinolin-4-yl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate (PubChem CID 10961810) has the molecular formula C28H22N4O4 and a molecular weight of 478.51 g/mol. Its IUPAC name is ethyl 4-(2-ethoxycarbonyl-3H-pyrrolo[2,3-c]quinolin-4-yl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-ethoxycarbonyl-3H-pyrrolo[2,3-c]quinolin-4-yl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate
PubChem CID10961810
Molecular FormulaC28H22N4O4
Molecular Weight478.51 g/mol
Exact Mass478.16
IUPAC Nameethyl 4-(2-ethoxycarbonyl-3H-pyrrolo[2,3-c]quinolin-4-yl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate
SMILESCCOC(=O)c1cc2c([nH]1)c(-c1nc3ccccc3c3cc(C(=O)OCC)[nH]c13)nc1ccccc12
InChIInChI=1S/C28H22N4O4/c1-3-35-27(33)21-13-17-15-9-5-7-11-19(15)29-25(23(17)31-21)26-24-18(14-22(32-24)28(34)36-4-2)16-10-6-8-12-20(16)30-26/h5-14,31-32H,3-4H2,1-2H3
InChIKeyQAVXDYZTBRYXMA-UHFFFAOYSA-N
XLogP5.77
TPSA109.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.51
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(2-ethoxycarbonyl-3H-pyrrolo[2,3-c]quinolin-4-yl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate with MolForge

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Related Compounds

Ethyl Beta-Carboline-3-Carboxylate
CID 105078
Methyl 9H-pyrido(3,4-b)indole-3-carboxylate
CID 107704
Propyl beta-carboline-3-carboxylate
CID 123662
Harman-3-Carboxylic Acid
CID 5406157
Methyl 1-methyl-9H-pyrido(3,4-b)indole-3-carboxylate
CID 5291723
1,1-Dimethylethyl 9H-pyrido(3,4-b)indole-3-carboxylate
CID 124514
Nbbcc
CID 128618
ethyl 6-iodo-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13037317
4-Methoxymethyl-9H-beta-carboline-3-carboxylic acid ethyl ester
CID 13041786
methyl 1-(7-acetamido-5,8-dioxo-2-quinolyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 3011654
1-(7-acetamido-5,8-dioxo-2-quinolyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 5743014
Llojcczckavpol-uhfffaoysa-
CID 10093081

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-ethoxycarbonyl-3H-pyrrolo[2,3-c]quinolin-4-yl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate?
The IUPAC name of ethyl 4-(2-ethoxycarbonyl-3H-pyrrolo[2,3-c]quinolin-4-yl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate (CID 10961810) is ethyl 4-(2-ethoxycarbonyl-3H-pyrrolo[2,3-c]quinolin-4-yl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate.
What is the SMILES notation for ethyl 4-(2-ethoxycarbonyl-3H-pyrrolo[2,3-c]quinolin-4-yl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate?
The canonical SMILES for ethyl 4-(2-ethoxycarbonyl-3H-pyrrolo[2,3-c]quinolin-4-yl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate is CCOC(=O)c1cc2c([nH]1)c(-c1nc3ccccc3c3cc(C(=O)OCC)[nH]c13)nc1ccccc12.
What is the InChIKey of ethyl 4-(2-ethoxycarbonyl-3H-pyrrolo[2,3-c]quinolin-4-yl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate?
The InChIKey is QAVXDYZTBRYXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O4/c1-3-35-27(33)21-13-17-15-9-5-7-11-19(15)29-25(23(17)31-21)26-24-18(14-22(32-24)28(34)36-4-2)16-10-6-8-12-20(16)30-26/h5-14,31-32H,3-4H2,1-2H3.
What are the key properties of ethyl 4-(2-ethoxycarbonyl-3H-pyrrolo[2,3-c]quinolin-4-yl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate?
ethyl 4-(2-ethoxycarbonyl-3H-pyrrolo[2,3-c]quinolin-4-yl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate has a molecular weight of 478.51 g/mol, XLogP of 5.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-ethoxycarbonyl-3H-pyrrolo[2,3-c]quinolin-4-yl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate is sourced from PubChem (CID 10961810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).