7-(2-methoxyethoxy)-6-nitroquinazoline

C11H11N3O4 — CID 86758317

IUPAC7-(2-methoxyethoxy)-6-nitroquinazoline
SMILESCOCCOc1cc2ncncc2cc1[N+](=O)[O-]
InChIInChI=1S/C11H11N3O4/c1-17-2-3-18-11-5-9-8(6-12-7-13-9)4-10(11)14(15)16/h4-7H,2-3H2,1H3
InChIKeyVUFJKUSPWGNUQJ-UHFFFAOYSA-N
MW249.23 g/mol
LogP1.56
Rot. Bonds5

About 7-(2-methoxyethoxy)-6-nitroquinazoline

7-(2-methoxyethoxy)-6-nitroquinazoline (PubChem CID 86758317) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 7-(2-methoxyethoxy)-6-nitroquinazoline.

Molecular Properties

Compound Name7-(2-methoxyethoxy)-6-nitroquinazoline
PubChem CID86758317
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name7-(2-methoxyethoxy)-6-nitroquinazoline
SMILESCOCCOc1cc2ncncc2cc1[N+](=O)[O-]
InChIInChI=1S/C11H11N3O4/c1-17-2-3-18-11-5-9-8(6-12-7-13-9)4-10(11)14(15)16/h4-7H,2-3H2,1H3
InChIKeyVUFJKUSPWGNUQJ-UHFFFAOYSA-N
XLogP1.56
TPSA87.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(2-chloroethoxy)-7-(2-methoxyethoxy)quinazoline
CID 91514262
7-methoxy-6-(3-methoxypropoxy)quinazoline
CID 175806102
1-bromo-2-chloro-5-(2-methoxyethoxy)-4-nitrobenzene
CID 75537168
4-ethyl-1-(2-methoxyethoxy)-2-nitrobenzene
CID 56791150
4-[7-(2-methoxyethoxy)-6-nitroquinolin-4-yl]oxyaniline
CID 142410654
N-(4-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)-6-nitroquinazolin-4-amine
CID 18753423
2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-nitrobenzene
CID 118410599
[3-(2-methoxyethoxy)-4-nitrophenyl]methanamine
CID 62115319
trifluoro-[4-(2-methoxyethoxy)-3-nitrophenyl]boranuide
CID 75176094
2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-nitrobenzoyl chloride
CID 71417509
4,5-bis(2-methoxyethoxy)-2-nitrobenzoic acid
CID 23107612
2-amino-5-(2-methoxyethoxy)-4-nitrobenzenesulfonic acid
CID 22766335

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethoxy)-6-nitroquinazoline?
The IUPAC name of 7-(2-methoxyethoxy)-6-nitroquinazoline (CID 86758317) is 7-(2-methoxyethoxy)-6-nitroquinazoline.
What is the SMILES notation for 7-(2-methoxyethoxy)-6-nitroquinazoline?
The canonical SMILES for 7-(2-methoxyethoxy)-6-nitroquinazoline is COCCOc1cc2ncncc2cc1[N+](=O)[O-].
What is the InChIKey of 7-(2-methoxyethoxy)-6-nitroquinazoline?
The InChIKey is VUFJKUSPWGNUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-17-2-3-18-11-5-9-8(6-12-7-13-9)4-10(11)14(15)16/h4-7H,2-3H2,1H3.
What are the key properties of 7-(2-methoxyethoxy)-6-nitroquinazoline?
7-(2-methoxyethoxy)-6-nitroquinazoline has a molecular weight of 249.23 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethoxy)-6-nitroquinazoline is sourced from PubChem (CID 86758317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).