2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxamide

C20H19FN4O — CID 70661273

IUPAC2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxamide
SMILESC[C@H]1CCCN1c1nc2cc(C(N)=O)ccc2nc1-c1ccc(F)cc1
InChIInChI=1S/C20H19FN4O/c1-12-3-2-10-25(12)20-18(13-4-7-15(21)8-5-13)23-16-9-6-14(19(22)26)11-17(16)24-20/h4-9,11-12H,2-3,10H2,1H3,(H2,22,26)/t12-/m0/s1
InChIKeyLPZYPLHFGCKMQX-LBPRGKRZSA-N
MW350.40 g/mol
LogP3.52
Rot. Bonds3

About 2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxamide

2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxamide (PubChem CID 70661273) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxamide
PubChem CID70661273
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxamide
SMILESC[C@H]1CCCN1c1nc2cc(C(N)=O)ccc2nc1-c1ccc(F)cc1
InChIInChI=1S/C20H19FN4O/c1-12-3-2-10-25(12)20-18(13-4-7-15(21)8-5-13)23-16-9-6-14(19(22)26)11-17(16)24-20/h4-9,11-12H,2-3,10H2,1H3,(H2,22,26)/t12-/m0/s1
InChIKeyLPZYPLHFGCKMQX-LBPRGKRZSA-N
XLogP3.52
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxamide (CID 70661273) is 2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxamide is C[C@H]1CCCN1c1nc2cc(C(N)=O)ccc2nc1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxamide?
The InChIKey is LPZYPLHFGCKMQX-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-12-3-2-10-25(12)20-18(13-4-7-15(21)8-5-13)23-16-9-6-14(19(22)26)11-17(16)24-20/h4-9,11-12H,2-3,10H2,1H3,(H2,22,26)/t12-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxamide?
2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxamide is sourced from PubChem (CID 70661273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).