ethyl 7-methoxy-1-(4-phenylbenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate

C29H23NO4 — CID 45051074

IUPACethyl 7-methoxy-1-(4-phenylbenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccc(-c3ccccc3)cc2)n2c1ccc1cc(OC)ccc12
InChIInChI=1S/C29H23NO4/c1-3-34-29(32)24-18-27(30-25-16-14-23(33-2)17-22(25)13-15-26(24)30)28(31)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-18H,3H2,1-2H3
InChIKeyMUIRUUNEWUHAFP-UHFFFAOYSA-N
MW449.51 g/mol
LogP6.18
Rot. Bonds6

About ethyl 7-methoxy-1-(4-phenylbenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate

ethyl 7-methoxy-1-(4-phenylbenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate (PubChem CID 45051074) has the molecular formula C29H23NO4 and a molecular weight of 449.51 g/mol. Its IUPAC name is ethyl 7-methoxy-1-(4-phenylbenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-methoxy-1-(4-phenylbenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate
PubChem CID45051074
Molecular FormulaC29H23NO4
Molecular Weight449.51 g/mol
Exact Mass449.16
IUPAC Nameethyl 7-methoxy-1-(4-phenylbenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccc(-c3ccccc3)cc2)n2c1ccc1cc(OC)ccc12
InChIInChI=1S/C29H23NO4/c1-3-34-29(32)24-18-27(30-25-16-14-23(33-2)17-22(25)13-15-26(24)30)28(31)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-18H,3H2,1-2H3
InChIKeyMUIRUUNEWUHAFP-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 7-methoxy-1-(naphthalene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CID 4188647
ethyl 1-(4-bromobenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CID 980306
ethyl 1-(4-fluorobenzoyl)-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate
CID 988020
ethyl 3-(3,4,5-trimethoxybenzoyl)naphtho[2,1-e]indolizine-1-carboxylate
CID 168677969
ethyl 7-amino-3-(4-methoxybenzoyl)indolizine-1-carboxylate
CID 171462969
ethyl 7-benzoyl-3-(3-methoxybenzoyl)indolizine-1-carboxylate
CID 4052671
ethyl 1-benzoyl-2-(4-methoxyphenyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CID 132596232
ethyl 7-(4-bromobenzoyl)-3-(4-methoxyphenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 4183130
ethyl 7-(4-chlorobenzoyl)-3-(4-phenylphenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 5162517
ethyl 2-(dimethylaminomethylidene)-3-oxo-5-(4-phenylbenzoyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate
CID 3647897
ethyl 3-(4-methoxybenzoyl)-7-(trifluoromethyl)indolizine-1-carboxylate
CID 170530629
ethyl 3-(2,4-dimethoxyphenyl)-7-(4-methoxybenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 4180564

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methoxy-1-(4-phenylbenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate?
The IUPAC name of ethyl 7-methoxy-1-(4-phenylbenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate (CID 45051074) is ethyl 7-methoxy-1-(4-phenylbenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-methoxy-1-(4-phenylbenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate?
The canonical SMILES for ethyl 7-methoxy-1-(4-phenylbenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate is CCOC(=O)c1cc(C(=O)c2ccc(-c3ccccc3)cc2)n2c1ccc1cc(OC)ccc12.
What is the InChIKey of ethyl 7-methoxy-1-(4-phenylbenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate?
The InChIKey is MUIRUUNEWUHAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO4/c1-3-34-29(32)24-18-27(30-25-16-14-23(33-2)17-22(25)13-15-26(24)30)28(31)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-18H,3H2,1-2H3.
What are the key properties of ethyl 7-methoxy-1-(4-phenylbenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate?
ethyl 7-methoxy-1-(4-phenylbenzoyl)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 7-methoxy-1-(4-phenylbenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate is sourced from PubChem (CID 45051074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).