ethyl 1-benzoyl-2-(4-methoxyphenyl)pyrrolo[1,2-a]quinoline-3-carboxylate

C29H23NO4 — CID 132596232

IUPACethyl 1-benzoyl-2-(4-methoxyphenyl)pyrrolo[1,2-a]quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(OC)cc2)c(C(=O)c2ccccc2)n2c1ccc1ccccc12
InChIInChI=1S/C29H23NO4/c1-3-34-29(32)26-24-18-15-19-9-7-8-12-23(19)30(24)27(28(31)21-10-5-4-6-11-21)25(26)20-13-16-22(33-2)17-14-20/h4-18H,3H2,1-2H3
InChIKeyVUWPVJOPXLFLIT-UHFFFAOYSA-N
MW449.51 g/mol
LogP6.18
Rot. Bonds6

About ethyl 1-benzoyl-2-(4-methoxyphenyl)pyrrolo[1,2-a]quinoline-3-carboxylate

ethyl 1-benzoyl-2-(4-methoxyphenyl)pyrrolo[1,2-a]quinoline-3-carboxylate (PubChem CID 132596232) has the molecular formula C29H23NO4 and a molecular weight of 449.51 g/mol. Its IUPAC name is ethyl 1-benzoyl-2-(4-methoxyphenyl)pyrrolo[1,2-a]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzoyl-2-(4-methoxyphenyl)pyrrolo[1,2-a]quinoline-3-carboxylate
PubChem CID132596232
Molecular FormulaC29H23NO4
Molecular Weight449.51 g/mol
Exact Mass449.16
IUPAC Nameethyl 1-benzoyl-2-(4-methoxyphenyl)pyrrolo[1,2-a]quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(OC)cc2)c(C(=O)c2ccccc2)n2c1ccc1ccccc12
InChIInChI=1S/C29H23NO4/c1-3-34-29(32)26-24-18-15-19-9-7-8-12-23(19)30(24)27(28(31)21-10-5-4-6-11-21)25(26)20-13-16-22(33-2)17-14-20/h4-18H,3H2,1-2H3
InChIKeyVUWPVJOPXLFLIT-UHFFFAOYSA-N
XLogP6.18
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-benzoyl-2-phenylnaphtho[2,1-e]indolizine-1-carboxylate
CID 132596240
ethyl 1-benzoyl-7-methyl-2-phenylpyrrolo[1,2-a]quinoline-3-carboxylate
CID 132596236
dimethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate
CID 44612996
ethyl 3-benzoyl-4-formyl-2-phenylpyrrolo[1,2-a]quinoline-1-carboxylate
CID 102460014
ethyl 3-benzoyl-2-(4-nitrophenyl)indolizine-1-carboxylate
CID 72701002
ethyl 7-methoxy-1-(4-phenylbenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CID 45051074
ethyl 3-benzoyl-7-benzyl-2-phenylindolizine-1-carboxylate
CID 51056237
ethyl 3,4-bis(4-methoxyphenyl)-1-methylpyrrole-2-carboxylate
CID 10546793
ethyl 2-hydroxy-3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate
CID 102058257
ethyl 1-benzoyl-4-benzyl-3-phenylpyrrolo[1,2-a]benzimidazole-2-carboxylate
CID 56931222
ethyl 1-(4-methoxyphenyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylate
CID 102185323
ethyl 2-benzoyl-1-(4-methoxyphenyl)-5-phenylpyrrole-3-carboxylate
CID 139181936

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzoyl-2-(4-methoxyphenyl)pyrrolo[1,2-a]quinoline-3-carboxylate?
The IUPAC name of ethyl 1-benzoyl-2-(4-methoxyphenyl)pyrrolo[1,2-a]quinoline-3-carboxylate (CID 132596232) is ethyl 1-benzoyl-2-(4-methoxyphenyl)pyrrolo[1,2-a]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-benzoyl-2-(4-methoxyphenyl)pyrrolo[1,2-a]quinoline-3-carboxylate?
The canonical SMILES for ethyl 1-benzoyl-2-(4-methoxyphenyl)pyrrolo[1,2-a]quinoline-3-carboxylate is CCOC(=O)c1c(-c2ccc(OC)cc2)c(C(=O)c2ccccc2)n2c1ccc1ccccc12.
What is the InChIKey of ethyl 1-benzoyl-2-(4-methoxyphenyl)pyrrolo[1,2-a]quinoline-3-carboxylate?
The InChIKey is VUWPVJOPXLFLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO4/c1-3-34-29(32)26-24-18-15-19-9-7-8-12-23(19)30(24)27(28(31)21-10-5-4-6-11-21)25(26)20-13-16-22(33-2)17-14-20/h4-18H,3H2,1-2H3.
What are the key properties of ethyl 1-benzoyl-2-(4-methoxyphenyl)pyrrolo[1,2-a]quinoline-3-carboxylate?
ethyl 1-benzoyl-2-(4-methoxyphenyl)pyrrolo[1,2-a]quinoline-3-carboxylate has a molecular weight of 449.51 g/mol, XLogP of 6.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzoyl-2-(4-methoxyphenyl)pyrrolo[1,2-a]quinoline-3-carboxylate is sourced from PubChem (CID 132596232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).