7-methoxy-4-methylidene-6-nitro-3H-quinazoline

C10H9N3O3 — CID 68603580

IUPAC7-methoxy-4-methylidene-6-nitro-3H-quinazoline
SMILESC=C1NC=Nc2cc(OC)c([N+](=O)[O-])cc21
InChIInChI=1S/C10H9N3O3/c1-6-7-3-9(13(14)15)10(16-2)4-8(7)12-5-11-6/h3-5H,1H2,2H3,(H,11,12)
InChIKeyLMQWHZUPBXEJJV-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.84
Rot. Bonds2

About 7-methoxy-4-methylidene-6-nitro-3H-quinazoline

7-methoxy-4-methylidene-6-nitro-3H-quinazoline (PubChem CID 68603580) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 7-methoxy-4-methylidene-6-nitro-3H-quinazoline.

Molecular Properties

Compound Name7-methoxy-4-methylidene-6-nitro-3H-quinazoline
PubChem CID68603580
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name7-methoxy-4-methylidene-6-nitro-3H-quinazoline
SMILESC=C1NC=Nc2cc(OC)c([N+](=O)[O-])cc21
InChIInChI=1S/C10H9N3O3/c1-6-7-3-9(13(14)15)10(16-2)4-8(7)12-5-11-6/h3-5H,1H2,2H3,(H,11,12)
InChIKeyLMQWHZUPBXEJJV-UHFFFAOYSA-N
XLogP1.84
TPSA76.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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1-chloro-2,5-dimethoxy-4-nitrobenzene;methanol
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4-methoxy-5-nitro-1H-pyridin-2-one
CID 26370134
4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methyl-2H-pyridine
CID 171774611
5-methoxy-2,4-dinitrobenzenethiol
CID 101493596
1-(2,4-dimethoxy-5-nitrophenyl)piperazine
CID 4738746
1-ethenyl-2,5-dimethoxy-4-nitrobenzene
CID 54152856
7-methoxy-6-nitro-1,4-dihydroquinazoline-4-carbaldehyde
CID 175207421
2-methoxy-1-nitro-4-propylsulfanylbenzene
CID 15144725
1-fluoro-4-methoxy-2-methyl-5-nitrobenzene
CID 10583662
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CID 169490477

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-methylidene-6-nitro-3H-quinazoline?
The IUPAC name of 7-methoxy-4-methylidene-6-nitro-3H-quinazoline (CID 68603580) is 7-methoxy-4-methylidene-6-nitro-3H-quinazoline.
What is the SMILES notation for 7-methoxy-4-methylidene-6-nitro-3H-quinazoline?
The canonical SMILES for 7-methoxy-4-methylidene-6-nitro-3H-quinazoline is C=C1NC=Nc2cc(OC)c([N+](=O)[O-])cc21.
What is the InChIKey of 7-methoxy-4-methylidene-6-nitro-3H-quinazoline?
The InChIKey is LMQWHZUPBXEJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-6-7-3-9(13(14)15)10(16-2)4-8(7)12-5-11-6/h3-5H,1H2,2H3,(H,11,12).
What are the key properties of 7-methoxy-4-methylidene-6-nitro-3H-quinazoline?
7-methoxy-4-methylidene-6-nitro-3H-quinazoline has a molecular weight of 219.20 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-methylidene-6-nitro-3H-quinazoline is sourced from PubChem (CID 68603580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).