N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]quinoxaline-2-carboxamide

C16H16N4O2 — CID 71781584

IUPACN-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]quinoxaline-2-carboxamide
SMILESCn1cccc1C(O)CNC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C16H16N4O2/c1-20-8-4-7-14(20)15(21)10-18-16(22)13-9-17-11-5-2-3-6-12(11)19-13/h2-9,15,21H,10H2,1H3,(H,18,22)
InChIKeyLFYFZBVZBMMMNM-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.43
Rot. Bonds4

About N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]quinoxaline-2-carboxamide

N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]quinoxaline-2-carboxamide (PubChem CID 71781584) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]quinoxaline-2-carboxamide
PubChem CID71781584
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]quinoxaline-2-carboxamide
SMILESCn1cccc1C(O)CNC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C16H16N4O2/c1-20-8-4-7-14(20)15(21)10-18-16(22)13-9-17-11-5-2-3-6-12(11)19-13/h2-9,15,21H,10H2,1H3,(H,18,22)
InChIKeyLFYFZBVZBMMMNM-UHFFFAOYSA-N
XLogP1.43
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]quinoxaline-2-carboxamide
CID 90535046
N-(2-methylpropyl)quinoxaline-2-carboxamide
CID 32978197
N-(2-aminopropyl)quinoxaline-2-carboxamide
CID 107356511
N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]quinoxaline-2-carboxamide
CID 95983403
(2S)-2-amino-3-(quinoxaline-2-carbonylamino)propanoic acid
CID 67154498
N-(2-amino-3-methylbutyl)quinoxaline-2-carboxamide
CID 103807153
methyl 4-[[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]carbamoyl]benzoate
CID 95982482
4-ethoxy-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide
CID 90496212
N-(3,3-diphenylpropyl)quinoxaline-2-carboxamide
CID 7536893
2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide
CID 95982468
N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]furan-2-carboxamide
CID 95982442
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzamide
CID 90496202

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]quinoxaline-2-carboxamide (CID 71781584) is N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]quinoxaline-2-carboxamide is Cn1cccc1C(O)CNC(=O)c1cnc2ccccc2n1.
What is the InChIKey of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]quinoxaline-2-carboxamide?
The InChIKey is LFYFZBVZBMMMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-20-8-4-7-14(20)15(21)10-18-16(22)13-9-17-11-5-2-3-6-12(11)19-13/h2-9,15,21H,10H2,1H3,(H,18,22).
What are the key properties of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]quinoxaline-2-carboxamide?
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]quinoxaline-2-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 71781584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).