N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]quinoxaline-2-carboxamide

C20H18N4O2 — CID 90535046

IUPACN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]quinoxaline-2-carboxamide
SMILESCn1cc(C(O)CNC(=O)c2cnc3ccccc3n2)c2ccccc21
InChIInChI=1S/C20H18N4O2/c1-24-12-14(13-6-2-5-9-18(13)24)19(25)11-22-20(26)17-10-21-15-7-3-4-8-16(15)23-17/h2-10,12,19,25H,11H2,1H3,(H,22,26)
InChIKeyGKCOHASTUWPFSQ-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.58
Rot. Bonds4

About N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]quinoxaline-2-carboxamide

N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]quinoxaline-2-carboxamide (PubChem CID 90535046) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]quinoxaline-2-carboxamide
PubChem CID90535046
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]quinoxaline-2-carboxamide
SMILESCn1cc(C(O)CNC(=O)c2cnc3ccccc3n2)c2ccccc21
InChIInChI=1S/C20H18N4O2/c1-24-12-14(13-6-2-5-9-18(13)24)19(25)11-22-20(26)17-10-21-15-7-3-4-8-16(15)23-17/h2-10,12,19,25H,11H2,1H3,(H,22,26)
InChIKeyGKCOHASTUWPFSQ-UHFFFAOYSA-N
XLogP2.58
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]quinoxaline-2-carboxamide
CID 71781584
N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 99982931
N-(2-methylpropyl)quinoxaline-2-carboxamide
CID 32978197
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]naphthalene-2-carboxamide
CID 90535044
4-(dimethylamino)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide
CID 90535031
2-bromo-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide
CID 71788673
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 90535108
N-(2-aminopropyl)quinoxaline-2-carboxamide
CID 107356511
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 71788669
N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]quinoxaline-2-carboxamide
CID 95983403
1-benzhydryl-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea
CID 90535339
N-(2-amino-3-methylbutyl)quinoxaline-2-carboxamide
CID 103807153

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]quinoxaline-2-carboxamide (CID 90535046) is N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]quinoxaline-2-carboxamide is Cn1cc(C(O)CNC(=O)c2cnc3ccccc3n2)c2ccccc21.
What is the InChIKey of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]quinoxaline-2-carboxamide?
The InChIKey is GKCOHASTUWPFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-24-12-14(13-6-2-5-9-18(13)24)19(25)11-22-20(26)17-10-21-15-7-3-4-8-16(15)23-17/h2-10,12,19,25H,11H2,1H3,(H,22,26).
What are the key properties of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]quinoxaline-2-carboxamide?
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]quinoxaline-2-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.58, 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-methylindol-3-yl)ethyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 90535046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).