(3R,5S)-5-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxolane-3-carboxamide

C18H22N4O2 — CID 100651271

IUPAC(3R,5S)-5-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxolane-3-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2nc3ccccc3nc2N2CCCC2)CO1
InChIInChI=1S/C18H22N4O2/c1-12-10-13(11-24-12)18(23)21-16-17(22-8-4-5-9-22)20-15-7-3-2-6-14(15)19-16/h2-3,6-7,12-13H,4-5,8-11H2,1H3,(H,19,21,23)/t12-,13+/m0/s1
InChIKeyDRPZZEDTKWMOIE-QWHCGFSZSA-N
MW326.40 g/mol
LogP2.59
Rot. Bonds3

About (3R,5S)-5-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxolane-3-carboxamide

(3R,5S)-5-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxolane-3-carboxamide (PubChem CID 100651271) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (3R,5S)-5-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-5-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxolane-3-carboxamide
PubChem CID100651271
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(3R,5S)-5-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxolane-3-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2nc3ccccc3nc2N2CCCC2)CO1
InChIInChI=1S/C18H22N4O2/c1-12-10-13(11-24-12)18(23)21-16-17(22-8-4-5-9-22)20-15-7-3-2-6-14(15)19-16/h2-3,6-7,12-13H,4-5,8-11H2,1H3,(H,19,21,23)/t12-,13+/m0/s1
InChIKeyDRPZZEDTKWMOIE-QWHCGFSZSA-N
XLogP2.59
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxolane-3-carboxamide?
The IUPAC name of (3R,5S)-5-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxolane-3-carboxamide (CID 100651271) is (3R,5S)-5-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxolane-3-carboxamide.
What is the SMILES notation for (3R,5S)-5-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxolane-3-carboxamide?
The canonical SMILES for (3R,5S)-5-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxolane-3-carboxamide is C[C@H]1C[C@@H](C(=O)Nc2nc3ccccc3nc2N2CCCC2)CO1.
What is the InChIKey of (3R,5S)-5-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxolane-3-carboxamide?
The InChIKey is DRPZZEDTKWMOIE-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-10-13(11-24-12)18(23)21-16-17(22-8-4-5-9-22)20-15-7-3-2-6-14(15)19-16/h2-3,6-7,12-13H,4-5,8-11H2,1H3,(H,19,21,23)/t12-,13+/m0/s1.
What are the key properties of (3R,5S)-5-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxolane-3-carboxamide?
(3R,5S)-5-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxolane-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxolane-3-carboxamide is sourced from PubChem (CID 100651271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).