N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide

C19H17N3O3 — CID 91785242

IUPACN-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
SMILESCN(C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C1Cc2ccccc2C1
InChIInChI=1S/C19H17N3O3/c1-22(14-8-11-4-2-3-5-12(11)9-14)19(25)13-6-7-15-16(10-13)21-18(24)17(23)20-15/h2-7,10,14H,8-9H2,1H3,(H,20,23)(H,21,24)
InChIKeyMJHNHIPFYVUTFV-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.46
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide

N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide (PubChem CID 91785242) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
PubChem CID91785242
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
SMILESCN(C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C1Cc2ccccc2C1
InChIInChI=1S/C19H17N3O3/c1-22(14-8-11-4-2-3-5-12(11)9-14)19(25)13-6-7-15-16(10-13)21-18(24)17(23)20-15/h2-7,10,14H,8-9H2,1H3,(H,20,23)(H,21,24)
InChIKeyMJHNHIPFYVUTFV-UHFFFAOYSA-N
XLogP1.46
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide (CID 91785242) is N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide is CN(C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is MJHNHIPFYVUTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-22(14-8-11-4-2-3-5-12(11)9-14)19(25)13-6-7-15-16(10-13)21-18(24)17(23)20-15/h2-7,10,14H,8-9H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 91785242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).