3,4-dimethoxy-4H-quinazoline

C10H12N2O2 — CID 174738125

IUPAC3,4-dimethoxy-4H-quinazoline
SMILESCOC1c2ccccc2N=CN1OC
InChIInChI=1S/C10H12N2O2/c1-13-10-8-5-3-4-6-9(8)11-7-12(10)14-2/h3-7,10H,1-2H3
InChIKeyMYDUDWJSAUASRC-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.87
Rot. Bonds2

About 3,4-dimethoxy-4H-quinazoline

3,4-dimethoxy-4H-quinazoline (PubChem CID 174738125) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 3,4-dimethoxy-4H-quinazoline.

Molecular Properties

Compound Name3,4-dimethoxy-4H-quinazoline
PubChem CID174738125
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name3,4-dimethoxy-4H-quinazoline
SMILESCOC1c2ccccc2N=CN1OC
InChIInChI=1S/C10H12N2O2/c1-13-10-8-5-3-4-6-9(8)11-7-12(10)14-2/h3-7,10H,1-2H3
InChIKeyMYDUDWJSAUASRC-UHFFFAOYSA-N
XLogP1.87
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4H-3,1-Benzoxazine
CID 21226449
3-Methyl-4-hydroxy-3,4-dihydroquinazoline
CID 12219366
2-Amino-4h-3,1-benzoxazine
CID 14270794
Quinazoline, 3,4-dihydro-4-methoxy-3-methyl-
CID 171384566
3,4-Dihydro-4-methoxyquinazoline
CID 89111836
12-(Trifluoromethoxy)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 54566896
1-methyl-N-phenyl-4H-3,1-benzoxazin-2-imine
CID 164668240
2-pyrrolidin-1-yl-4H-3,1-benzoxazine
CID 12415192
N,N-dimethyl-4H-3,1-benzoxazin-2-amine
CID 12415189
1-[2-(1-Methoxypropyl)phenyl]-4,5-dihydroimidazole
CID 20551607
2,5-diphenyl-5H-1,2,4-oxadiazole
CID 53735124
2-[2-(Methoxymethyl)phenyl]guanidine
CID 57255655

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-4H-quinazoline?
The IUPAC name of 3,4-dimethoxy-4H-quinazoline (CID 174738125) is 3,4-dimethoxy-4H-quinazoline.
What is the SMILES notation for 3,4-dimethoxy-4H-quinazoline?
The canonical SMILES for 3,4-dimethoxy-4H-quinazoline is COC1c2ccccc2N=CN1OC.
What is the InChIKey of 3,4-dimethoxy-4H-quinazoline?
The InChIKey is MYDUDWJSAUASRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-13-10-8-5-3-4-6-9(8)11-7-12(10)14-2/h3-7,10H,1-2H3.
What are the key properties of 3,4-dimethoxy-4H-quinazoline?
3,4-dimethoxy-4H-quinazoline has a molecular weight of 192.22 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-4H-quinazoline is sourced from PubChem (CID 174738125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).