N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-oxo-1H-quinoxaline-6-carboxamide

C19H15FN4O2 — CID 167757516

IUPACN-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-oxo-1H-quinoxaline-6-carboxamide
SMILESO=C(NCCc1c[nH]c2cc(F)ccc12)c1ccc2[nH]c(=O)cnc2c1
InChIInChI=1S/C19H15FN4O2/c20-13-2-3-14-12(9-22-16(14)8-13)5-6-21-19(26)11-1-4-15-17(7-11)23-10-18(25)24-15/h1-4,7-10,22H,5-6H2,(H,21,26)(H,24,25)
InChIKeyIBIBGSLQQAABHW-UHFFFAOYSA-N
MW350.35 g/mol
LogP2.52
Rot. Bonds4

About N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-oxo-1H-quinoxaline-6-carboxamide

N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-oxo-1H-quinoxaline-6-carboxamide (PubChem CID 167757516) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-oxo-1H-quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-oxo-1H-quinoxaline-6-carboxamide
PubChem CID167757516
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC NameN-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-oxo-1H-quinoxaline-6-carboxamide
SMILESO=C(NCCc1c[nH]c2cc(F)ccc12)c1ccc2[nH]c(=O)cnc2c1
InChIInChI=1S/C19H15FN4O2/c20-13-2-3-14-12(9-22-16(14)8-13)5-6-21-19(26)11-1-4-15-17(7-11)23-10-18(25)24-15/h1-4,7-10,22H,5-6H2,(H,21,26)(H,24,25)
InChIKeyIBIBGSLQQAABHW-UHFFFAOYSA-N
XLogP2.52
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 49408941
2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide
CID 49408660
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3,4-difluorobenzamide
CID 113083843
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 113083594
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 110731484
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86880994
(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide
CID 119280010
N-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 18532713
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-4-nitro-1H-pyrazole-3-carboxamide
CID 60614053
6-(2,4-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109159765
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(3-fluorophenyl)methyl]benzamide
CID 67974203

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-oxo-1H-quinoxaline-6-carboxamide?
The IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-oxo-1H-quinoxaline-6-carboxamide (CID 167757516) is N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-oxo-1H-quinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-oxo-1H-quinoxaline-6-carboxamide?
The canonical SMILES for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-oxo-1H-quinoxaline-6-carboxamide is O=C(NCCc1c[nH]c2cc(F)ccc12)c1ccc2[nH]c(=O)cnc2c1.
What is the InChIKey of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-oxo-1H-quinoxaline-6-carboxamide?
The InChIKey is IBIBGSLQQAABHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2/c20-13-2-3-14-12(9-22-16(14)8-13)5-6-21-19(26)11-1-4-15-17(7-11)23-10-18(25)24-15/h1-4,7-10,22H,5-6H2,(H,21,26)(H,24,25).
What are the key properties of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-oxo-1H-quinoxaline-6-carboxamide?
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-oxo-1H-quinoxaline-6-carboxamide has a molecular weight of 350.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-oxo-1H-quinoxaline-6-carboxamide is sourced from PubChem (CID 167757516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).