ethyl 1-benzoyl-7-methyl-2-phenylpyrrolo[1,2-a]quinoline-3-carboxylate

C29H23NO3 — CID 132596236

IUPACethyl 1-benzoyl-7-methyl-2-phenylpyrrolo[1,2-a]quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)c(C(=O)c2ccccc2)n2c1ccc1cc(C)ccc12
InChIInChI=1S/C29H23NO3/c1-3-33-29(32)26-24-17-15-22-18-19(2)14-16-23(22)30(24)27(25(26)20-10-6-4-7-11-20)28(31)21-12-8-5-9-13-21/h4-18H,3H2,1-2H3
InChIKeyJCVQQMOJYDAEHT-UHFFFAOYSA-N
MW433.51 g/mol
LogP6.48
Rot. Bonds5

About ethyl 1-benzoyl-7-methyl-2-phenylpyrrolo[1,2-a]quinoline-3-carboxylate

ethyl 1-benzoyl-7-methyl-2-phenylpyrrolo[1,2-a]quinoline-3-carboxylate (PubChem CID 132596236) has the molecular formula C29H23NO3 and a molecular weight of 433.51 g/mol. Its IUPAC name is ethyl 1-benzoyl-7-methyl-2-phenylpyrrolo[1,2-a]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzoyl-7-methyl-2-phenylpyrrolo[1,2-a]quinoline-3-carboxylate
PubChem CID132596236
Molecular FormulaC29H23NO3
Molecular Weight433.51 g/mol
Exact Mass433.17
IUPAC Nameethyl 1-benzoyl-7-methyl-2-phenylpyrrolo[1,2-a]quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)c(C(=O)c2ccccc2)n2c1ccc1cc(C)ccc12
InChIInChI=1S/C29H23NO3/c1-3-33-29(32)26-24-17-15-22-18-19(2)14-16-23(22)30(24)27(25(26)20-10-6-4-7-11-20)28(31)21-12-8-5-9-13-21/h4-18H,3H2,1-2H3
InChIKeyJCVQQMOJYDAEHT-UHFFFAOYSA-N
XLogP6.48
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-benzoyl-2-phenylnaphtho[2,1-e]indolizine-1-carboxylate
CID 132596240
ethyl 1-benzoyl-2-(4-methoxyphenyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CID 132596232
ethyl 3-benzoyl-4-formyl-2-phenylpyrrolo[1,2-a]quinoline-1-carboxylate
CID 102460014
ethyl 3-benzoyl-7-benzyl-2-phenylindolizine-1-carboxylate
CID 51056237
ethyl 1-benzoyl-4-benzyl-3-phenylpyrrolo[1,2-a]benzimidazole-2-carboxylate
CID 56931222
diethyl 1,5-dimethyl-3-phenylpyrrole-2,4-dicarboxylate
CID 66570713
ethyl 3-benzoyl-2-(4-nitrophenyl)indolizine-1-carboxylate
CID 72701002
ethyl 7-benzyl-3-(4-chlorobenzoyl)-2-phenylindolizine-1-carboxylate
CID 51056238
ethyl 1-(4-fluorobenzoyl)-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate
CID 988020
ethyl 7-methoxy-1-(4-phenylbenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CID 45051074
ethyl 5-methyl-2-(3-methylphenyl)-4-phenyl-1H-pyrrole-3-carboxylate
CID 102491425
diethyl 1-benzyl-5-methyl-3-phenylpyrrole-2,4-dicarboxylate
CID 67238833

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzoyl-7-methyl-2-phenylpyrrolo[1,2-a]quinoline-3-carboxylate?
The IUPAC name of ethyl 1-benzoyl-7-methyl-2-phenylpyrrolo[1,2-a]quinoline-3-carboxylate (CID 132596236) is ethyl 1-benzoyl-7-methyl-2-phenylpyrrolo[1,2-a]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-benzoyl-7-methyl-2-phenylpyrrolo[1,2-a]quinoline-3-carboxylate?
The canonical SMILES for ethyl 1-benzoyl-7-methyl-2-phenylpyrrolo[1,2-a]quinoline-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)c(C(=O)c2ccccc2)n2c1ccc1cc(C)ccc12.
What is the InChIKey of ethyl 1-benzoyl-7-methyl-2-phenylpyrrolo[1,2-a]quinoline-3-carboxylate?
The InChIKey is JCVQQMOJYDAEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO3/c1-3-33-29(32)26-24-17-15-22-18-19(2)14-16-23(22)30(24)27(25(26)20-10-6-4-7-11-20)28(31)21-12-8-5-9-13-21/h4-18H,3H2,1-2H3.
What are the key properties of ethyl 1-benzoyl-7-methyl-2-phenylpyrrolo[1,2-a]quinoline-3-carboxylate?
ethyl 1-benzoyl-7-methyl-2-phenylpyrrolo[1,2-a]quinoline-3-carboxylate has a molecular weight of 433.51 g/mol, XLogP of 6.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzoyl-7-methyl-2-phenylpyrrolo[1,2-a]quinoline-3-carboxylate is sourced from PubChem (CID 132596236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).