9-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methylimidazo[1,2-a]quinoline-4-carboxamide

C20H21FN4O3 — CID 155581750

IUPAC9-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methylimidazo[1,2-a]quinoline-4-carboxamide
SMILESCC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc1cccc2cc(C(N)=O)c3nc(C)cn3c12
InChIInChI=1S/C20H21FN4O3/c1-3-12-14(24-20(27)16(12)21)9-28-15-6-4-5-11-7-13(18(22)26)19-23-10(2)8-25(19)17(11)15/h4-8,12,14,16H,3,9H2,1-2H3,(H2,22,26)(H,24,27)/t12-,14+,16-/m0/s1
InChIKeyKVDZHZZAQQQXST-BJJXKVORSA-N
MW384.41 g/mol
LogP2.14
Rot. Bonds5

About 9-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methylimidazo[1,2-a]quinoline-4-carboxamide

9-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methylimidazo[1,2-a]quinoline-4-carboxamide (PubChem CID 155581750) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 9-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methylimidazo[1,2-a]quinoline-4-carboxamide.

Molecular Properties

Compound Name9-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methylimidazo[1,2-a]quinoline-4-carboxamide
PubChem CID155581750
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name9-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methylimidazo[1,2-a]quinoline-4-carboxamide
SMILESCC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc1cccc2cc(C(N)=O)c3nc(C)cn3c12
InChIInChI=1S/C20H21FN4O3/c1-3-12-14(24-20(27)16(12)21)9-28-15-6-4-5-11-7-13(18(22)26)19-23-10(2)8-25(19)17(11)15/h4-8,12,14,16H,3,9H2,1-2H3,(H2,22,26)(H,24,27)/t12-,14+,16-/m0/s1
InChIKeyKVDZHZZAQQQXST-BJJXKVORSA-N
XLogP2.14
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methylimidazo[1,2-a]quinoline-4-carboxamide?
The IUPAC name of 9-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methylimidazo[1,2-a]quinoline-4-carboxamide (CID 155581750) is 9-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methylimidazo[1,2-a]quinoline-4-carboxamide.
What is the SMILES notation for 9-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methylimidazo[1,2-a]quinoline-4-carboxamide?
The canonical SMILES for 9-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methylimidazo[1,2-a]quinoline-4-carboxamide is CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc1cccc2cc(C(N)=O)c3nc(C)cn3c12.
What is the InChIKey of 9-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methylimidazo[1,2-a]quinoline-4-carboxamide?
The InChIKey is KVDZHZZAQQQXST-BJJXKVORSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-3-12-14(24-20(27)16(12)21)9-28-15-6-4-5-11-7-13(18(22)26)19-23-10(2)8-25(19)17(11)15/h4-8,12,14,16H,3,9H2,1-2H3,(H2,22,26)(H,24,27)/t12-,14+,16-/m0/s1.
What are the key properties of 9-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methylimidazo[1,2-a]quinoline-4-carboxamide?
9-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methylimidazo[1,2-a]quinoline-4-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methylimidazo[1,2-a]quinoline-4-carboxamide is sourced from PubChem (CID 155581750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).