(1-methylimidazol-2-yl)-(3-nitro-4-quinoxalin-6-yloxyphenyl)methanone

C19H13N5O4 — CID 133406613

IUPAC(1-methylimidazol-2-yl)-(3-nitro-4-quinoxalin-6-yloxyphenyl)methanone
SMILESCn1ccnc1C(=O)c1ccc(Oc2ccc3nccnc3c2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H13N5O4/c1-23-9-8-22-19(23)18(25)12-2-5-17(16(10-12)24(26)27)28-13-3-4-14-15(11-13)21-7-6-20-14/h2-11H,1H3
InChIKeyASAKDQBLJHMSHQ-UHFFFAOYSA-N
MW375.34 g/mol
LogP3.29
Rot. Bonds5

About (1-methylimidazol-2-yl)-(3-nitro-4-quinoxalin-6-yloxyphenyl)methanone

(1-methylimidazol-2-yl)-(3-nitro-4-quinoxalin-6-yloxyphenyl)methanone (PubChem CID 133406613) has the molecular formula C19H13N5O4 and a molecular weight of 375.34 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-(3-nitro-4-quinoxalin-6-yloxyphenyl)methanone.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-(3-nitro-4-quinoxalin-6-yloxyphenyl)methanone
PubChem CID133406613
Molecular FormulaC19H13N5O4
Molecular Weight375.34 g/mol
Exact Mass375.10
IUPAC Name(1-methylimidazol-2-yl)-(3-nitro-4-quinoxalin-6-yloxyphenyl)methanone
SMILESCn1ccnc1C(=O)c1ccc(Oc2ccc3nccnc3c2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H13N5O4/c1-23-9-8-22-19(23)18(25)12-2-5-17(16(10-12)24(26)27)28-13-3-4-14-15(11-13)21-7-6-20-14/h2-11H,1H3
InChIKeyASAKDQBLJHMSHQ-UHFFFAOYSA-N
XLogP3.29
TPSA113.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-fluoro-2-nitrophenoxy)-3-nitrophenyl]-(1-methylimidazol-2-yl)methanone
CID 133301498
(1-methylimidazol-2-yl)-[4-(2-methylphenyl)sulfanyl-3-nitrophenyl]methanone
CID 133300751
[4-[4-(2-hydroxyethoxy)anilino]-3-nitrophenyl]-(1-methylimidazol-2-yl)methanone
CID 133310922
(1-methylimidazol-2-yl)-[4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-nitrophenyl]methanone
CID 133431983
(1-methylimidazol-2-yl)-(4-morpholin-4-yl-3-nitrophenyl)methanone
CID 51194340
(1-methylimidazol-2-yl)-[3-nitro-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methanone
CID 133309573
[4-[(1-hydroxy-3-methylpentan-2-yl)amino]-3-nitrophenyl]-(1-methylimidazol-2-yl)methanone
CID 56794957
(3-nitro-4-phenoxyphenyl)-phenylmethanone
CID 3531975
1-[4-[4-(1-methylimidazole-2-carbonyl)-2-nitrophenyl]piperazin-1-yl]propan-1-one
CID 133285328
[4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-3-nitrophenyl]-(1-methylimidazol-2-yl)methanone
CID 133406211
[4-(1-cyclobutylethylamino)-3-nitrophenyl]-(1-methylimidazol-2-yl)methanone
CID 133417899
(1-methylimidazol-2-yl)-naphthalen-2-ylmethanone
CID 60660061

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-(3-nitro-4-quinoxalin-6-yloxyphenyl)methanone?
The IUPAC name of (1-methylimidazol-2-yl)-(3-nitro-4-quinoxalin-6-yloxyphenyl)methanone (CID 133406613) is (1-methylimidazol-2-yl)-(3-nitro-4-quinoxalin-6-yloxyphenyl)methanone.
What is the SMILES notation for (1-methylimidazol-2-yl)-(3-nitro-4-quinoxalin-6-yloxyphenyl)methanone?
The canonical SMILES for (1-methylimidazol-2-yl)-(3-nitro-4-quinoxalin-6-yloxyphenyl)methanone is Cn1ccnc1C(=O)c1ccc(Oc2ccc3nccnc3c2)c([N+](=O)[O-])c1.
What is the InChIKey of (1-methylimidazol-2-yl)-(3-nitro-4-quinoxalin-6-yloxyphenyl)methanone?
The InChIKey is ASAKDQBLJHMSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O4/c1-23-9-8-22-19(23)18(25)12-2-5-17(16(10-12)24(26)27)28-13-3-4-14-15(11-13)21-7-6-20-14/h2-11H,1H3.
What are the key properties of (1-methylimidazol-2-yl)-(3-nitro-4-quinoxalin-6-yloxyphenyl)methanone?
(1-methylimidazol-2-yl)-(3-nitro-4-quinoxalin-6-yloxyphenyl)methanone has a molecular weight of 375.34 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-(3-nitro-4-quinoxalin-6-yloxyphenyl)methanone is sourced from PubChem (CID 133406613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).