N-(4-chlorophenyl)-3-oxo-4,5-dihydropyrazino[2,3-b]indole-2-carboxamide

C17H11ClN4O2 — CID 10065767

IUPACN-(4-chlorophenyl)-3-oxo-4,5-dihydropyrazino[2,3-b]indole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1nc2c([nH]c1=O)[nH]c1ccccc12
InChIInChI=1S/C17H11ClN4O2/c18-9-5-7-10(8-6-9)19-16(23)14-17(24)22-15-13(21-14)11-3-1-2-4-12(11)20-15/h1-8H,(H,19,23)(H2,20,22,24)
InChIKeyIVIKMYQVUIRFJT-UHFFFAOYSA-N
MW338.75 g/mol
LogP3.31
Rot. Bonds2

About N-(4-chlorophenyl)-3-oxo-4,5-dihydropyrazino[2,3-b]indole-2-carboxamide

N-(4-chlorophenyl)-3-oxo-4,5-dihydropyrazino[2,3-b]indole-2-carboxamide (PubChem CID 10065767) has the molecular formula C17H11ClN4O2 and a molecular weight of 338.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-oxo-4,5-dihydropyrazino[2,3-b]indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-oxo-4,5-dihydropyrazino[2,3-b]indole-2-carboxamide
PubChem CID10065767
Molecular FormulaC17H11ClN4O2
Molecular Weight338.75 g/mol
Exact Mass338.06
IUPAC NameN-(4-chlorophenyl)-3-oxo-4,5-dihydropyrazino[2,3-b]indole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1nc2c([nH]c1=O)[nH]c1ccccc12
InChIInChI=1S/C17H11ClN4O2/c18-9-5-7-10(8-6-9)19-16(23)14-17(24)22-15-13(21-14)11-3-1-2-4-12(11)20-15/h1-8H,(H,19,23)(H2,20,22,24)
InChIKeyIVIKMYQVUIRFJT-UHFFFAOYSA-N
XLogP3.31
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-oxo-4,5-dihydropyrazino[2,3-b]indole-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-oxo-4,5-dihydropyrazino[2,3-b]indole-2-carboxamide (CID 10065767) is N-(4-chlorophenyl)-3-oxo-4,5-dihydropyrazino[2,3-b]indole-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-oxo-4,5-dihydropyrazino[2,3-b]indole-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-oxo-4,5-dihydropyrazino[2,3-b]indole-2-carboxamide is O=C(Nc1ccc(Cl)cc1)c1nc2c([nH]c1=O)[nH]c1ccccc12.
What is the InChIKey of N-(4-chlorophenyl)-3-oxo-4,5-dihydropyrazino[2,3-b]indole-2-carboxamide?
The InChIKey is IVIKMYQVUIRFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O2/c18-9-5-7-10(8-6-9)19-16(23)14-17(24)22-15-13(21-14)11-3-1-2-4-12(11)20-15/h1-8H,(H,19,23)(H2,20,22,24).
What are the key properties of N-(4-chlorophenyl)-3-oxo-4,5-dihydropyrazino[2,3-b]indole-2-carboxamide?
N-(4-chlorophenyl)-3-oxo-4,5-dihydropyrazino[2,3-b]indole-2-carboxamide has a molecular weight of 338.75 g/mol, XLogP of 3.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-oxo-4,5-dihydropyrazino[2,3-b]indole-2-carboxamide is sourced from PubChem (CID 10065767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).