ethyl 3-fluoro-7-methyl-5-oxo-2-(3-pyrazin-2-ylpyrrolidin-1-yl)benzimidazolo[1,2-a]quinoline-6-carboxylate

C27H24FN5O3 — CID 59516523

IUPACethyl 3-fluoro-7-methyl-5-oxo-2-(3-pyrazin-2-ylpyrrolidin-1-yl)benzimidazolo[1,2-a]quinoline-6-carboxylate
SMILESCCOC(=O)c1c(=O)c2cc(F)c(N3CCC(c4cnccn4)C3)cc2n2c3ccccc3n(C)c12
InChIInChI=1S/C27H24FN5O3/c1-3-36-27(35)24-25(34)17-12-18(28)23(32-11-8-16(15-32)19-14-29-9-10-30-19)13-22(17)33-21-7-5-4-6-20(21)31(2)26(24)33/h4-7,9-10,12-14,16H,3,8,11,15H2,1-2H3
InChIKeyOWWMFFHQTYWGDK-UHFFFAOYSA-N
MW485.52 g/mol
LogP4.04
Rot. Bonds4

About ethyl 3-fluoro-7-methyl-5-oxo-2-(3-pyrazin-2-ylpyrrolidin-1-yl)benzimidazolo[1,2-a]quinoline-6-carboxylate

ethyl 3-fluoro-7-methyl-5-oxo-2-(3-pyrazin-2-ylpyrrolidin-1-yl)benzimidazolo[1,2-a]quinoline-6-carboxylate (PubChem CID 59516523) has the molecular formula C27H24FN5O3 and a molecular weight of 485.52 g/mol. Its IUPAC name is ethyl 3-fluoro-7-methyl-5-oxo-2-(3-pyrazin-2-ylpyrrolidin-1-yl)benzimidazolo[1,2-a]quinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-fluoro-7-methyl-5-oxo-2-(3-pyrazin-2-ylpyrrolidin-1-yl)benzimidazolo[1,2-a]quinoline-6-carboxylate
PubChem CID59516523
Molecular FormulaC27H24FN5O3
Molecular Weight485.52 g/mol
Exact Mass485.19
IUPAC Nameethyl 3-fluoro-7-methyl-5-oxo-2-(3-pyrazin-2-ylpyrrolidin-1-yl)benzimidazolo[1,2-a]quinoline-6-carboxylate
SMILESCCOC(=O)c1c(=O)c2cc(F)c(N3CCC(c4cnccn4)C3)cc2n2c3ccccc3n(C)c12
InChIInChI=1S/C27H24FN5O3/c1-3-36-27(35)24-25(34)17-12-18(28)23(32-11-8-16(15-32)19-14-29-9-10-30-19)13-22(17)33-21-7-5-4-6-20(21)31(2)26(24)33/h4-7,9-10,12-14,16H,3,8,11,15H2,1-2H3
InChIKeyOWWMFFHQTYWGDK-UHFFFAOYSA-N
XLogP4.04
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-fluoro-7-methyl-5-oxo-2-(3-pyrazin-2-ylpyrrolidin-1-yl)benzimidazolo[1,2-a]quinoline-6-carboxylate?
The IUPAC name of ethyl 3-fluoro-7-methyl-5-oxo-2-(3-pyrazin-2-ylpyrrolidin-1-yl)benzimidazolo[1,2-a]quinoline-6-carboxylate (CID 59516523) is ethyl 3-fluoro-7-methyl-5-oxo-2-(3-pyrazin-2-ylpyrrolidin-1-yl)benzimidazolo[1,2-a]quinoline-6-carboxylate.
What is the SMILES notation for ethyl 3-fluoro-7-methyl-5-oxo-2-(3-pyrazin-2-ylpyrrolidin-1-yl)benzimidazolo[1,2-a]quinoline-6-carboxylate?
The canonical SMILES for ethyl 3-fluoro-7-methyl-5-oxo-2-(3-pyrazin-2-ylpyrrolidin-1-yl)benzimidazolo[1,2-a]quinoline-6-carboxylate is CCOC(=O)c1c(=O)c2cc(F)c(N3CCC(c4cnccn4)C3)cc2n2c3ccccc3n(C)c12.
What is the InChIKey of ethyl 3-fluoro-7-methyl-5-oxo-2-(3-pyrazin-2-ylpyrrolidin-1-yl)benzimidazolo[1,2-a]quinoline-6-carboxylate?
The InChIKey is OWWMFFHQTYWGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O3/c1-3-36-27(35)24-25(34)17-12-18(28)23(32-11-8-16(15-32)19-14-29-9-10-30-19)13-22(17)33-21-7-5-4-6-20(21)31(2)26(24)33/h4-7,9-10,12-14,16H,3,8,11,15H2,1-2H3.
What are the key properties of ethyl 3-fluoro-7-methyl-5-oxo-2-(3-pyrazin-2-ylpyrrolidin-1-yl)benzimidazolo[1,2-a]quinoline-6-carboxylate?
ethyl 3-fluoro-7-methyl-5-oxo-2-(3-pyrazin-2-ylpyrrolidin-1-yl)benzimidazolo[1,2-a]quinoline-6-carboxylate has a molecular weight of 485.52 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-fluoro-7-methyl-5-oxo-2-(3-pyrazin-2-ylpyrrolidin-1-yl)benzimidazolo[1,2-a]quinoline-6-carboxylate is sourced from PubChem (CID 59516523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).