4-methoxy-1,4-dihydroquinazoline

C9H10N2O — CID 89111836

IUPAC4-methoxy-1,4-dihydroquinazoline
SMILESCOC1N=CNc2ccccc21
InChIInChI=1S/C9H10N2O/c1-12-9-7-4-2-3-5-8(7)10-6-11-9/h2-6,9H,1H3,(H,10,11)
InChIKeyAUUKEODWWHHRPB-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.79
Rot. Bonds1

About 4-methoxy-1,4-dihydroquinazoline

4-methoxy-1,4-dihydroquinazoline (PubChem CID 89111836) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 4-methoxy-1,4-dihydroquinazoline.

Molecular Properties

Compound Name4-methoxy-1,4-dihydroquinazoline
PubChem CID89111836
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name4-methoxy-1,4-dihydroquinazoline
SMILESCOC1N=CNc2ccccc21
InChIInChI=1S/C9H10N2O/c1-12-9-7-4-2-3-5-8(7)10-6-11-9/h2-6,9H,1H3,(H,10,11)
InChIKeyAUUKEODWWHHRPB-UHFFFAOYSA-N
XLogP1.79
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,4-dihydroquinazoline?
The IUPAC name of 4-methoxy-1,4-dihydroquinazoline (CID 89111836) is 4-methoxy-1,4-dihydroquinazoline.
What is the SMILES notation for 4-methoxy-1,4-dihydroquinazoline?
The canonical SMILES for 4-methoxy-1,4-dihydroquinazoline is COC1N=CNc2ccccc21.
What is the InChIKey of 4-methoxy-1,4-dihydroquinazoline?
The InChIKey is AUUKEODWWHHRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-12-9-7-4-2-3-5-8(7)10-6-11-9/h2-6,9H,1H3,(H,10,11).
What are the key properties of 4-methoxy-1,4-dihydroquinazoline?
4-methoxy-1,4-dihydroquinazoline has a molecular weight of 162.19 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,4-dihydroquinazoline is sourced from PubChem (CID 89111836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).