5-[(5-amino-2-methoxy-2H-pyridin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione

C15H15N5O5 — CID 70271856

IUPAC5-[(5-amino-2-methoxy-2H-pyridin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione
SMILESCOC1C=CC(N)=CN1Cc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C15H15N5O5/c1-25-12-3-2-9(16)7-19(12)6-8-4-10(20(23)24)5-11-13(8)18-15(22)14(21)17-11/h2-5,7,12H,6,16H2,1H3,(H,17,21)(H,18,22)
InChIKeyVFQCQTWXWSJKKE-UHFFFAOYSA-N
MW345.32 g/mol
LogP0.27
Rot. Bonds4

About 5-[(5-amino-2-methoxy-2H-pyridin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione

5-[(5-amino-2-methoxy-2H-pyridin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 70271856) has the molecular formula C15H15N5O5 and a molecular weight of 345.32 g/mol. Its IUPAC name is 5-[(5-amino-2-methoxy-2H-pyridin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name5-[(5-amino-2-methoxy-2H-pyridin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione
PubChem CID70271856
Molecular FormulaC15H15N5O5
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC Name5-[(5-amino-2-methoxy-2H-pyridin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione
SMILESCOC1C=CC(N)=CN1Cc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C15H15N5O5/c1-25-12-3-2-9(16)7-19(12)6-8-4-10(20(23)24)5-11-13(8)18-15(22)14(21)17-11/h2-5,7,12H,6,16H2,1H3,(H,17,21)(H,18,22)
InChIKeyVFQCQTWXWSJKKE-UHFFFAOYSA-N
XLogP0.27
TPSA147.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[(5-amino-2-methoxy-2H-pyridin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione with MolForge

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Launch Full Analysis

Related Compounds

5-[(2-methylaziridin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 18706668
ethyl 2-[2-amino-3-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-2H-1,3-thiazol-4-yl]acetate
CID 57025428
7-nitro-5-[(3-oxopyrrolidin-1-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione;hydrobromide
CID 139812183
7-nitro-5-(1,3-thiazolidin-3-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione
CID 18706540
ethyl 2-[2-amino-3-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-2H-1,3-thiazol-4-yl]acetate;hydrobromide
CID 70271850
7-nitro-5-[(propan-2-ylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 18706560
ethyl 1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]pyrazole-3-carboxylate;hydrobromide
CID 70272047
5-(9H-acridin-10-ylmethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 151810187
7-nitro-5-[(piperidin-1-ylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 173306739
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 18706551
4-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-1,2,4-triazole-3-carboxylic acid
CID 18706626
5-[(1-methyl-2,6-dioxopiperazin-1-ium-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 18706303

Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-2-methoxy-2H-pyridin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 5-[(5-amino-2-methoxy-2H-pyridin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione (CID 70271856) is 5-[(5-amino-2-methoxy-2H-pyridin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 5-[(5-amino-2-methoxy-2H-pyridin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 5-[(5-amino-2-methoxy-2H-pyridin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione is COC1C=CC(N)=CN1Cc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12.
What is the InChIKey of 5-[(5-amino-2-methoxy-2H-pyridin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is VFQCQTWXWSJKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O5/c1-25-12-3-2-9(16)7-19(12)6-8-4-10(20(23)24)5-11-13(8)18-15(22)14(21)17-11/h2-5,7,12H,6,16H2,1H3,(H,17,21)(H,18,22).
What are the key properties of 5-[(5-amino-2-methoxy-2H-pyridin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione?
5-[(5-amino-2-methoxy-2H-pyridin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 345.32 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-2-methoxy-2H-pyridin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 70271856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).