6,7-dimethoxy-5-nitroquinazoline

C10H9N3O4 — CID 142974644

IUPAC6,7-dimethoxy-5-nitroquinazoline
SMILESCOc1cc2ncncc2c([N+](=O)[O-])c1OC
InChIInChI=1S/C10H9N3O4/c1-16-8-3-7-6(4-11-5-12-7)9(13(14)15)10(8)17-2/h3-5H,1-2H3
InChIKeyBLGSPYPZADINKK-UHFFFAOYSA-N
MW235.20 g/mol
LogP1.56
Rot. Bonds3

About 6,7-dimethoxy-5-nitroquinazoline

6,7-dimethoxy-5-nitroquinazoline (PubChem CID 142974644) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 6,7-dimethoxy-5-nitroquinazoline.

Molecular Properties

Compound Name6,7-dimethoxy-5-nitroquinazoline
PubChem CID142974644
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name6,7-dimethoxy-5-nitroquinazoline
SMILESCOc1cc2ncncc2c([N+](=O)[O-])c1OC
InChIInChI=1S/C10H9N3O4/c1-16-8-3-7-6(4-11-5-12-7)9(13(14)15)10(8)17-2/h3-5H,1-2H3
InChIKeyBLGSPYPZADINKK-UHFFFAOYSA-N
XLogP1.56
TPSA87.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

6,7-dimethoxy-8-nitroquinoline
CID 616387
7-(2-methoxyethoxy)-6-nitroquinazoline
CID 86758317
4,5-dimethoxy-2,3-dinitrobenzoic acid
CID 131843904
(7-methoxy-6-nitroquinazolin-4-yl)methanamine
CID 66609386
3,5-dimethoxy-2,4,6-trinitrophenol
CID 87251966
7-methoxy-6-(3-methoxypropoxy)quinazoline
CID 175806102
6-methoxyquinazolin-7-ol;hydrochloride
CID 174888473
2,3,5-trimethoxy-6-nitrobenzaldehyde
CID 66545581
3,4,5-trimethoxy-2-nitrobenzaldehyde
CID 18697918
6,7-dimethoxy-8-nitro-2H-isoquinolin-1-one
CID 24971761
2-(3,5-dimethoxy-4-nitrophenoxy)-1,3,5-trimethoxy-4-nitrobenzene
CID 71371782
9-(4,5-dimethoxy-2-nitrophenoxy)purine
CID 57046912

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-5-nitroquinazoline?
The IUPAC name of 6,7-dimethoxy-5-nitroquinazoline (CID 142974644) is 6,7-dimethoxy-5-nitroquinazoline.
What is the SMILES notation for 6,7-dimethoxy-5-nitroquinazoline?
The canonical SMILES for 6,7-dimethoxy-5-nitroquinazoline is COc1cc2ncncc2c([N+](=O)[O-])c1OC.
What is the InChIKey of 6,7-dimethoxy-5-nitroquinazoline?
The InChIKey is BLGSPYPZADINKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c1-16-8-3-7-6(4-11-5-12-7)9(13(14)15)10(8)17-2/h3-5H,1-2H3.
What are the key properties of 6,7-dimethoxy-5-nitroquinazoline?
6,7-dimethoxy-5-nitroquinazoline has a molecular weight of 235.20 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-5-nitroquinazoline is sourced from PubChem (CID 142974644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).