1-ethyl-N-(1H-indol-2-ylmethyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

C20H20N4O2 — CID 71907180

IUPAC1-ethyl-N-(1H-indol-2-ylmethyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
SMILESCCN1CC(=O)Nc2cc(C(=O)NCc3cc4ccccc4[nH]3)ccc21
InChIInChI=1S/C20H20N4O2/c1-2-24-12-19(25)23-17-10-14(7-8-18(17)24)20(26)21-11-15-9-13-5-3-4-6-16(13)22-15/h3-10,22H,2,11-12H2,1H3,(H,21,26)(H,23,25)
InChIKeyUTEFOAXSPCEEQD-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.88
Rot. Bonds4

About 1-ethyl-N-(1H-indol-2-ylmethyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

1-ethyl-N-(1H-indol-2-ylmethyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide (PubChem CID 71907180) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-ethyl-N-(1H-indol-2-ylmethyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(1H-indol-2-ylmethyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
PubChem CID71907180
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-ethyl-N-(1H-indol-2-ylmethyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
SMILESCCN1CC(=O)Nc2cc(C(=O)NCc3cc4ccccc4[nH]3)ccc21
InChIInChI=1S/C20H20N4O2/c1-2-24-12-19(25)23-17-10-14(7-8-18(17)24)20(26)21-11-15-9-13-5-3-4-6-16(13)22-15/h3-10,22H,2,11-12H2,1H3,(H,21,26)(H,23,25)
InChIKeyUTEFOAXSPCEEQD-UHFFFAOYSA-N
XLogP2.88
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1H-indol-2-ylmethyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of 1-ethyl-N-(1H-indol-2-ylmethyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide (CID 71907180) is 1-ethyl-N-(1H-indol-2-ylmethyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for 1-ethyl-N-(1H-indol-2-ylmethyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for 1-ethyl-N-(1H-indol-2-ylmethyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide is CCN1CC(=O)Nc2cc(C(=O)NCc3cc4ccccc4[nH]3)ccc21.
What is the InChIKey of 1-ethyl-N-(1H-indol-2-ylmethyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is UTEFOAXSPCEEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-2-24-12-19(25)23-17-10-14(7-8-18(17)24)20(26)21-11-15-9-13-5-3-4-6-16(13)22-15/h3-10,22H,2,11-12H2,1H3,(H,21,26)(H,23,25).
What are the key properties of 1-ethyl-N-(1H-indol-2-ylmethyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
1-ethyl-N-(1H-indol-2-ylmethyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1H-indol-2-ylmethyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 71907180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).