N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]quinoxaline-2-carboxamide

C16H20N4O2 — CID 133266039

IUPACN-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]quinoxaline-2-carboxamide
SMILESCCO[C@@H]1CN(C)C[C@H]1NC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C16H20N4O2/c1-3-22-15-10-20(2)9-14(15)19-16(21)13-8-17-11-6-4-5-7-12(11)18-13/h4-8,14-15H,3,9-10H2,1-2H3,(H,19,21)/t14-,15-/m1/s1
InChIKeyIVOBBWQFMLQSNV-HUUCEWRRSA-N
MW300.36 g/mol
LogP1.08
Rot. Bonds4

About N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]quinoxaline-2-carboxamide

N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]quinoxaline-2-carboxamide (PubChem CID 133266039) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]quinoxaline-2-carboxamide
PubChem CID133266039
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]quinoxaline-2-carboxamide
SMILESCCO[C@@H]1CN(C)C[C@H]1NC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C16H20N4O2/c1-3-22-15-10-20(2)9-14(15)19-16(21)13-8-17-11-6-4-5-7-12(11)18-13/h4-8,14-15H,3,9-10H2,1-2H3,(H,19,21)/t14-,15-/m1/s1
InChIKeyIVOBBWQFMLQSNV-HUUCEWRRSA-N
XLogP1.08
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]quinoxaline-2-carboxamide?
The IUPAC name of N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]quinoxaline-2-carboxamide (CID 133266039) is N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]quinoxaline-2-carboxamide is CCO[C@@H]1CN(C)C[C@H]1NC(=O)c1cnc2ccccc2n1.
What is the InChIKey of N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]quinoxaline-2-carboxamide?
The InChIKey is IVOBBWQFMLQSNV-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-3-22-15-10-20(2)9-14(15)19-16(21)13-8-17-11-6-4-5-7-12(11)18-13/h4-8,14-15H,3,9-10H2,1-2H3,(H,19,21)/t14-,15-/m1/s1.
What are the key properties of N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]quinoxaline-2-carboxamide?
N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]quinoxaline-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]quinoxaline-2-carboxamide is sourced from PubChem (CID 133266039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).