ethyl 1-(4-fluorobenzoyl)-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate

C23H18FNO3 — CID 988020

IUPACethyl 1-(4-fluorobenzoyl)-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccc(F)cc2)n2c1ccc1cc(C)ccc12
InChIInChI=1S/C23H18FNO3/c1-3-28-23(27)18-13-21(22(26)15-5-8-17(24)9-6-15)25-19-10-4-14(2)12-16(19)7-11-20(18)25/h4-13H,3H2,1-2H3
InChIKeySTLUHXLWVJUKME-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.95
Rot. Bonds4

About ethyl 1-(4-fluorobenzoyl)-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate

ethyl 1-(4-fluorobenzoyl)-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate (PubChem CID 988020) has the molecular formula C23H18FNO3 and a molecular weight of 375.40 g/mol. Its IUPAC name is ethyl 1-(4-fluorobenzoyl)-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-fluorobenzoyl)-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate
PubChem CID988020
Molecular FormulaC23H18FNO3
Molecular Weight375.40 g/mol
Exact Mass375.13
IUPAC Nameethyl 1-(4-fluorobenzoyl)-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccc(F)cc2)n2c1ccc1cc(C)ccc12
InChIInChI=1S/C23H18FNO3/c1-3-28-23(27)18-13-21(22(26)15-5-8-17(24)9-6-15)25-19-10-4-14(2)12-16(19)7-11-20(18)25/h4-13H,3H2,1-2H3
InChIKeySTLUHXLWVJUKME-UHFFFAOYSA-N
XLogP4.95
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-fluorobenzoyl)-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate?
The IUPAC name of ethyl 1-(4-fluorobenzoyl)-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate (CID 988020) is ethyl 1-(4-fluorobenzoyl)-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-fluorobenzoyl)-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate?
The canonical SMILES for ethyl 1-(4-fluorobenzoyl)-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate is CCOC(=O)c1cc(C(=O)c2ccc(F)cc2)n2c1ccc1cc(C)ccc12.
What is the InChIKey of ethyl 1-(4-fluorobenzoyl)-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate?
The InChIKey is STLUHXLWVJUKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO3/c1-3-28-23(27)18-13-21(22(26)15-5-8-17(24)9-6-15)25-19-10-4-14(2)12-16(19)7-11-20(18)25/h4-13H,3H2,1-2H3.
What are the key properties of ethyl 1-(4-fluorobenzoyl)-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate?
ethyl 1-(4-fluorobenzoyl)-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate has a molecular weight of 375.40 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-fluorobenzoyl)-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate is sourced from PubChem (CID 988020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).