N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide

C20H19N3O5 — CID 72855713

IUPACN-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
SMILESCOc1ccc2c(c1)OCC(CNC(=O)c1ccc3[nH]c(=O)c(=O)[nH]c3c1)C2
InChIInChI=1S/C20H19N3O5/c1-27-14-4-2-12-6-11(10-28-17(12)8-14)9-21-18(24)13-3-5-15-16(7-13)23-20(26)19(25)22-15/h2-5,7-8,11H,6,9-10H2,1H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyVNPZEJIXUMEXEO-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.21
Rot. Bonds4

About N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide

N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide (PubChem CID 72855713) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
PubChem CID72855713
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC NameN-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
SMILESCOc1ccc2c(c1)OCC(CNC(=O)c1ccc3[nH]c(=O)c(=O)[nH]c3c1)C2
InChIInChI=1S/C20H19N3O5/c1-27-14-4-2-12-6-11(10-28-17(12)8-14)9-21-18(24)13-3-5-15-16(7-13)23-20(26)19(25)22-15/h2-5,7-8,11H,6,9-10H2,1H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyVNPZEJIXUMEXEO-UHFFFAOYSA-N
XLogP1.21
TPSA113.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(hydroxymethyl)-N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 97280412
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-4-carboxamide
CID 97142134
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]thiophene-3-carboxamide
CID 72888189
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(6-methylpyridazin-3-yl)benzamide
CID 169414913
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide
CID 97123602
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(2-methyltetrazol-5-yl)benzamide
CID 97118057
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97275919
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97275918
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(tetrazol-1-yl)benzamide
CID 97149544
2-amino-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methylpropanamide
CID 72923552
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 97122083
4-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methylcarbamoyl]-1H-imidazole-5-carboxylic acid
CID 74240064

Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide (CID 72855713) is N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide is COc1ccc2c(c1)OCC(CNC(=O)c1ccc3[nH]c(=O)c(=O)[nH]c3c1)C2.
What is the InChIKey of N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is VNPZEJIXUMEXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-27-14-4-2-12-6-11(10-28-17(12)8-14)9-21-18(24)13-3-5-15-16(7-13)23-20(26)19(25)22-15/h2-5,7-8,11H,6,9-10H2,1H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 72855713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).